Magnetic Properties of Complex Inorganic Systems

Relevant Publications

M. Ding, G. E. Cutsail III, D. Aravena, D.; M. Amoza, M. Rouzieres, P. Dechambenoit, Y. Losovyj, M. Pink, E. Ruiz, R. Clérac and J. M. Smith. «A low spin manganese(iv) nitride single molecule magnet.» Chem. Sci. 2016, 7, 6132-6140. Doi: 10.1039/C6SC01469K

S. Gómez-Coca, E. Cremades, N. Aliaga-Alcalde, E. Ruiz, “Huge Magnetic Anisotropy in a Trigonal-Pyramidal Nickel(II) Complex”, Inorg. Chem. 2014, 53, 676-678.

D. Aravena, E. Ruiz. «Shedding Light on the Single-Molecule Magnet Behavior of Mononuclear Dy^III Complexes», Inorg. Chem. 2013, 52, 13770-13778.

E. Colacio, J. Ruiz, E. Ruiz, E. Cremades, J. Krzystek, S. Carretta, J. Cano, T. Guidi, W. Wernsdorfer, E. K. Brechin. «Slow Magnetic Relaxation in a Co(II)-Y(III) Single-Ion Magnet with Positive Zero-Field Splitting», Angew. Chem. Int. Ed. 2013, 52, 9130-9134.

S. Gómez-Coca, E. Cremades, N. Aliaga-Alcalde, E. Ruiz. «Mononuclear Single-Molecules Magnets: Tailoring the Magnetic Anisotropy of First-Row Transition-Metal Complexes», J. Am. Chem. Soc. 2013, 135, 7010-7018.

E. Cremades, S. Gomez-Coca, D. Aravena, S. Alvarez, E. Ruiz, “Theoretical Study of Exchange Coupling in 3d-Gd Complexes: Large Magnetocaloric Effect Systems”, J. Am. Chem. Soc. 2012, 134, 10532−10542

J. Cirera, E. Ruiz, S. Alvarez, F. Neese and J. Kortus, «How to Build Molecules with Large Magnetic Anisotropy», Chem. Eur. J. 2009, 15, 4078-4087.

E. Ruiz, T. Cauchy, J. Cano, R. Costa, J. Tercero and S. Alvarez, «Magnetic structure of the large-spin Mn₁₀ and Mn₁₉ complexes: A theoretical complement to an experimental milestone», J. Am. Chem. Soc. 2008, 130, 7420-7426.

T. Cauchy, E. Ruiz and S. Alvarez, «Magnetostructural correlations in polynuclear complexes: The Fe₄ butterflies», J. Am. Chem. Soc. 2006, 128, 15722-15727.

E. Ruiz, J. Cano, S. Alvarez and P. Alemany, «Magnetic coupling in end-on azido-bridged transition metal complexes: A density functional study», J. Am. Chem. Soc. 1998, 120, 11122-11129.

E. Ruiz, P. Alemany, S. Alvarez and J. Cano, «Toward the prediction of magnetic coupling in molecular systems: Hydroxo- and alkoxo-bridged Cu(II) binuclear complexes», J. Am. Chem. Soc. 1997, 119, 1297-1303.

Single Molecule Magnets

M. Fondo, J. Corredoira-Vazquez, A. M. Garcia-Deibe, J. Sanmartin-Matalobos, S. Gómez-Coca, E. Ruiz and E. Colacio. “Slow magnetic relaxation in dinuclear dysprosium and holmium phenoxide bridged complexes: a Dy₂ single molecule magnet with a high energy barrier”. Inorg. Chem. Front., 2021, 8, 2532-2541.

J. J. Baldoví, Y. Duan, R. Morales, A. Gaita-Arino, E. Ruiz and E. Coronado. «Rational Design of Lanthanoid Single-Ion Magnets: Predictive Power of the Theoretical Models». Chem. Eur. J., 2016, 22, 13532-13539.

N. Gallego-Planas, A. Martín-Rodríguez and E. Ruiz. «Magnetic and transport properties of Fe-4 single-molecule magnets: a theoretical insight». Dalton Trans., 2016, 45, 18867-18875.

J. R. Jiménez, I. F. Díaz-Ortega, E. Ruiz, D. Aravena, S. J. A. Pope, E. Colacio and J. M. Herrera. «Lanthanide Tetrazolate Complexes Combining Single-Molecule Magnet and Luminescence Properties: The Effect of the Replacement of Tetrazolate N-3 by -Diketonate Ligands on the Anisotropy Energy Barrier». Chem. Eur. J., 2016, 22, 14548-14559.

T. J. Woods, M. F. Ballesteros-Rivas, S. Gómez-Coca, E. Ruiz and K. R. Dunbar. «Relaxation Dynamics of Identical Trigonal Bipyramidal Cobalt Molecules with Different Local Symmetries and Packing Arrangements: Magnetostructural Correlations and ab inito Calculations». J. Am. Chem. Soc., 2016, 138, 16407-16416.

G. Brunet, D. A. Safin, J. Jover, E. Ruiz and M. Murugesu. «Single-molecule magnetism arising from cobalt(ii) nodes of a crystalline sponge». J. Mater. Chem. C, 2017, 5, 835-841.

A. Martín-Rodríguez, D. Aravena and E. Ruiz. «DFT approaches to transport calculations in magnetic single-molecule devices.» Theor. Chem. Acc., 2016, 135, 1-10.

R. Díaz-Torres, M. Menelaou, O. Roubeau, A. Sorrenti, G. Brandáriz-de-Pedro, E. C. Sañudo, S. J. Teat, J. Fraxedas, E. Ruiz and N. Aliaga-Alcalde. «Multiscale study of mononuclear Co-II SMMs based on curcuminoid ligands.» Chem. Sci. 2016, 7, 2793-2803.

L.-F. Wang, J.-Z. Qiu, J.-L. Liu, Y.-C. Chen, J.-H. Jia, J. Jover, E. Ruiz and M.-L. Tong, «Modulation of single-molecule magnet behaviour via photochemical 2+2 cycloaddition». Chem. Commun., 2015, 51, 15358-15361.

I. Oyarzábal, J. Ruiz, E. Ruiz, D. Aravena, J. M. Seco and E. Colacio, «Increasing the effective energy barrier promoted by the change of a counteranion in a Zn-Dy-Zn SMM: slow relaxation via the second excited state». Chem. Commun., 2015, 51, 12353-12356.

A. K. Jassal, N. Aliaga-Alcalde, M. Corbella, D. Aravena, E. Ruiz and G. Hundal, «Neodymium 1D systems: targeting new sources for field-induced slow magnetization relaxation». Dalton Trans., 2015, 44, 15774-15778.

M. M. Hanninen,A. J. Mota, D. Aravena, E. Ruiz, R. Sillanpaa, A. Camon, M. Evangelisti, E. Colacio. Two C₃-Symmetric Dy₃(III) Complexes with Triple Di-μ-methoxo-μ-phenoxo Bridges, Magnetic Ground State, and Single-Molecule Magnetic Behavior. Chem. Eur. J., 2014, 20, 8410-8420.

S. Gómez-Coca, E. Cremades, N. Aliaga-Alcalde, E. Ruiz, “Huge Magnetic Anisotropy in a Trigonal-Pyramidal Nickel(II) Complex”, Inorg. Chem. 2014, 53, 676-678.

J.-L. Liu, W.-Q. Lin, Y.-C. Chen, S. Gómez-Coca, D. Aravena, E. Ruiz, J.-D. Leng, M.-L. Tong, «Cu^II–Gd^III Cryogenic Magnetic Refrigerants and Cu₈Dy₉ Single-Molecule Magnet Generated by In Situ Reactions of Picolinaldehyde and Acetylpyridine: Experimental and Theoretical Study», Chem. Eur. J. 2013, 19, 17567-17577.

D. Aravena, E. Ruiz. «Shedding Light on the Single-Molecule Magnet Behavior of Mononuclear Dy^III Complexes», Inorg. Chem. 2013, 52, 13770-13778.

Liu, J. Chen, Y. Li, Q. Gómez-Coca, S. Aravena, D. Ruiz, E. Lin, W. Leng, J. Tong,M. «Two 3d-4f nanomagnets formed via a two-step in situ reaction of picolinaldehyde», Chem. Commun. 2013, 49, 6549.

E. Cremades, C. Pemmaraju, S. Samvito, E. Ruiz. «Spin-polarized transport through single-molecule magnet Mn₆ complexes», Nanoscale. 2013, 5, 4751.

J. Ruiz, A. J. Mota, A. Rodrıguez-Dieguez, S. Titos, J. M. Herrera, E. Ruiz, E, Cremades, J. P Costes, E, Colacio. “Field and dilution effects on the slow relaxation of a luminescent DyO₉ low-symmetry single-ion magnet”, Chem. Commun. 2012, 48, 7916-7918.

J. M. Lillo, A. R. Tomsa, Y. Li, L. M. Chamoreau, E. Cremades, E. Ruiz, A. L. Barra, A. Proust, M. Verdaguer, P. Gouzerh. “Synthesis, crystal structure and magnetism of new salicylamidoxime-based hexanuclear manganese(III) single-molecule magnets”, Dalton Trans. 2012, 41, 13668.

S. Gómez-Coca, E. Ruiz «Exchange coupling and magnetic anisotropy of exchanged-biased quantum tunnelling single-molecule magnet Ni₃Mn₂complexes using theoretical methods based on Density Functional Theory», Dalton Trans. 2012, 41, 2659-2666.

G. Wu, J. Huang, L. L. Sun, J. Q. Bai, G. H. Li, E. Cremades, E. Ruiz, R. Clerac and S. L. Qiu, «S_T= 22 [Mn₁₀] Supertetrahedral Building-Block to Design Extended Magnetic Networks», Inorg. Chem. 2011, 50, 8580-8587.

J. S. Costa, G. A. Craig, L. A. Barrios, O. Roubeau, E. Ruiz, S. Gomez-Coca, S. J. Teat and G. Aromi, «The Use of a Bis(phenylpyrazolyl)pyridyl Ligand to Prepare [Mn₄] and [Mn₁₀] Cage Complexes», Chem. Eur. J. 2011, 17, 4960-4963.

E. Cremades and E. Ruiz, «Magnetic Properties of Largest-Spin Single Molecule Magnets: Mn₁₇ Complexes-A Density Functional Theory Approach», Inorg. Chem. 2010, 49, 9641-9648.

A. R. Tomsa, J. Martinez-Lillo, Y. L. Li, L. M. Chamoreau, K. Boubekeur, F. Farias, M. A. Novak, E. Cremades, E. Ruiz, A. Proust, M. Verdaguer and P. Gouzerh, «A new family of oxime-based hexanuclear manganese(III) single molecule magnets with high anisotropy energy barriers», Chem. Commun. 2010, 46, 5106-5108.

S. Gomez-Coca, T. Cauchy and E. Ruiz, «Extended Fe₄ butterfly complexes: theoretical analysis of magnetic properties and magnetostructural maps», Dalton Trans. 2010, 39, 4832-4837.

E. Cremades, J. Cano, E. Ruiz, G. Rajaraman, C. J. Milios and E. K. Brechin, «Theoretical Methods Enlighten Magnetic Properties of a Family of Mn(6) Single-Molecule Magnets», Inorg. Chem. 2009, 48, 8012-8019.

S. Gómez-Coca, E. Ruiz and J. Kortus, «Single-molecule magnet Fe₉ supramolecular dimers: a theoretical approach to intramolecular and intermolecular exchange interactions», Chem. Commun. 2009, 4363-4365.

T. Cauchy, E. Ruiz and S. Alvarez, «Exchange interactions in a Fe₅ complex: A theoretical study using density functional theory», Inorg. Chim. Acta 2008, 361, 3832-3835.

J. Cano, T. Cauchy, E. Ruiz, C. J. Milios, C. C. Stoumpos, T. C. Stamatatos, S. P. Perlepes, G. Christou and E. K. Brechin, «On the origin of ferromagnetism in oximato-based [Mn₃O]⁷⁺ triangles», Dalton Trans. 2008, 234-240.

E. C. Sañudo, T. Cauchy, E. Ruiz, R. H. Laye, O. Roubeau, S. J. Teat and G. Aromí, «Molecules composed of two weakly magnetically coupled [Mn₄^III] clusters», Inorg. Chem.2007, 46, 9045-9047.

J. Cano, R. Costa, S. Alvarez and E. Ruiz, «Theoretical study of the magnetic properties of an Mn₁₂ single-molecule magnet with a loop structure: The role of the next-nearest neighbor interactions», J. Chem. Theory Comput. 2007, 3, 782-788.

T. Cauchy, E. Ruiz and S. Alvarez, «Magnetostructural correlations in polynuclear complexes: The Fe₄ butterflies», J. Am. Chem. Soc. 2006, 128, 15722-15727.

T. Cauchy, E. Ruiz and S. Alvarez, «Exchange coupling interactions in a Fe₆ complex: A theoretical study using density functional theory», Phys. B – Cond. Matter 2006, 384, 116-119.

D. Venegas-Yazigi, J. Cano, E. Ruiz and S. Alvarez, «Theoretical study of the electronic properties and exchange coupling in a Ni₄ cubane like single-molecule magnet», Phys. B – Cond. Matter 2006, 384, 123-125.

D. Venegas-Yazigi, E. Ruiz, J. Cano and S. Alvarez, «Theoretical study of the exchange coupling in a Ni₁₂ single-molecule magnet», Dalton Trans. 2006, 2643-2646.

E. Ruiz, J. Cano and S. Alvarez, «An Fe₁₁ complex showing single-molecule magnet behavior: Theoretical study using density functional methods and Monte Carlo simulations», Polyhedron 2005, 24, 2364-2367.

G. Rajaraman, E. Ruiz, J. Cano and S. Alvarez, «Theoretical determination of the exchange coupling constants of a single-molecule magnet Fe₁₀ complex», Chem. Phys. Lett.2005, 415, 6-9.

E. Ruiz, J. Cano and S. Alvarez, «Density functional study of exchange coupling constants in single-molecule magnets: The Fe₈ complex», Chem. Eur. J. 2005, 11, 4767-4771.

E. Ruiz, A. Rodriguez-Fortea, J. Cano and S. Alvarez, «Theoretical study of exchange coupling constants in an Fe₁₉ complex», J. Phys. Chem. Solids 2004, 65, 799-803.

Magnetic Anisotropy and Mononuclear Systems

M. Amoza, S. Gómez-Coca, E. Ruiz. “Magnetic anisotropy in Yb^IIIcomplex candidates for molecular qubits: a theoretical analysis”. Phys. Chem. Chem. Phys.,2021, 23, 1976-1983.

I. Oyarzábal, J. Ruiz, J. M. Seco, M. Evangelisti, A. Camon, E. Ruiz, D. Aravena and E. Colacio. «Rational electrostatic design of easy-axis magnetic anisotropy in a Zn(II)-Dy(III)-Zn(II) single-molecule magnet with a high energy barrier.» Chem. Eur. J., 2014, 20, 14262-1429.

S. Gómez-Coca, D. Aravena, R. Morales, E. Ruiz. «Large magnetic anisotropy in mononuclear metal complexes». Coord. Chem. Rev., 2015, 289-290, 379-392.

S. Das, K. S. Bejoymohandas, A. Dey, S. Biswas, M. L. P. Reddy, R. Morales, E. Ruiz, S. Titos-Padilla, E. Colacio, V. Chandrasekhar. «Amending the Anisotropy Barrier and Luminescence Behavior of Heterometallic Trinuclear Linear [M^II– Ln^III– M^II] (Ln^III = Gd, Tb, Dy; M^II = Mg /Zn) Complexes by Change from Divalent Paramagnetic to Diamagnetic Metal Ions». Chem. Eur. J., 2015, 21, 6449-6464.

S. Gómez-Coca, A. Urtizberea, E. Cremades, P. J. Alonso, A. Camon, E. Ruiz, F. Luis. «Origin of slow magnetic relaxation in Kramers ions with non-uniaxial anisotropy». Nature Commun.2014, 5, 4300. Doi:10.1038/ncomms5300.

D. Aravena, E. Ruiz. «Shedding Light on the Single-Molecule Magnet Behavior of Mononuclear Dy^III Complexes», Inorg. Chem. 2013, 52, 13770-13778.

E. Cremades and E. Ruiz, «Mononuclear Fe^II Single-Molecule Magnets: A Theoretical Approach», Inorg. Chem. 2011, 50, 4016-4020.

J. Cirera, E. Ruiz, S. Alvarez, F. Neese and J. Kortus, «How to Build Molecules with Large Magnetic Anisotropy», Chem. Eur. J. 2009, 15, 4078-4087.

J. Cirera, E. Ruiz and S. Alvarez, «Stereochemistry and spin state in four-coordinate transition metal compounds», Inorg. Chem. 2008, 47, 2871-2889.

E. Ruiz, J. Cirera, J. Cano, S. Alvarez, C. Loose and J. Kortus, «Can large magnetic anisotropy and high spin really coexist?» Chem. Commun. 2008, 52-54.

J. Cirera, E. Ruiz and S. Alvarez, «Shape and spin state in four-coordinate transition-metal complexes: The case of the d⁶ configuration», Chem. Eur. J. 2006, 12, 3162-3167.

Methods to Calculate Exchange Interactions

E. Colacio, J. Ruiz, A. J. Mota, M. A. Palacios, E. Ruiz, E. Cremades, M. M. Hänninnen, R. Sillanpää, E. K. Brechin. “Co^IILn^III dinuclear complexes (Ln^III = Gd, Tb, Dy, Ho and Er) as platforms for 1,5-dicyanamide-bridged tetranuclear Co ^II₂Ln ^III₂ complexes: A magneto-structural and theoretical study”, C. R. Chim. 2012, 15, 878-888.

E. Ruiz, «Exchange Coupling Constants using Density Functional Theory: Long-Range Corrected Functionals», J. Comput. Chem. 2011, 32, 1998-2004.

E. Ruiz, «Exchange coupling constants using density functional theory: The M0X suite», Chem. Phys. Lett. 2008, 460, 336-338.

E. Ruiz, J. Cano, S. Alvarez and V. Polo, «Reply to «Comment on ‘About the calculation of exchange coupling constants using density-functional theory: The role of the self-interaction error'» [J. Chem. Phys. 123, 164110 (2005)]», J. Chem. Phys. 2006, 123, 107102.

E. Ruiz, S. Alvarez, J. Cano and V. Polo, «About the calculation of exchange coupling constants using density-functional theory: The role of the self-interaction error», J. Chem. Phys. 2005, 123, 164110.

E. Ruiz, A. Rodriguez-Fortea, J. Tercero, T. Cauchy and C. Massobrio, «Exchange coupling in transition-metal complexes via density-functional theory: Comparison and reliability of different basis set approaches», J. Chem. Phys. 2005, 123,

E. Ruiz, «Theoretical study of the exchange coupling in large polynuclear transition metal complexes using DFT methods», Principles and Applications of Density in Inorganic Chemistry II 2004, 113, 71-102.

E. Ruiz, M. Llunell and P. Alemany, «Calculation of exchange coupling constants in solid state transition metal compounds using localized atomic orbital basis sets», J. Solid State Chem. 2003, 176, 400-411.

E. Ruiz, A. Rodriguez-Fortea, J. Cano, S. Alvarez and P. Alemany, «About the calculation of exchange coupling constants in polynuclear transition metal complexes», Journal of Computational Chemistry 2003, 24, 982-989.

C. Massobrio and E. Ruiz, «Localized orbitals vs. pseudopotential-plane waves basis sets: Performances and accuracy for molecular magnetic systems», Monatsh. Chem.2003, 134, 317-326.

E. Ruiz, J. Cano, S. Alvarez and P. Alemany, «Broken symmetry approach to calculation of exchange coupling constants for homobinuclear and heterobinuclear transition metal complexes», J. Comput. Chem. 1999, 20, 1391-1400.

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Exchange Interactions

A. Rodriguez-Fortea, M. Llunell, P. Alemany and E. Canadell. «Factors affecting the magnetic coupling in Sr₂V₃O₉ type oxides: As for V substitution in the VO₄tetrahedra and nature of the cation». Dalton Trans., 2013, 42, 15555-15558.

J. Cirera, Y. Jiang, L. Qin, Y.-Z. Zheng, G. Li, G. Wu and E. Ruiz. «Ferromagnetism in polynuclear systems based on non-linear [Mn^II₂Mn^III] building blocks». Inorg. Chem. Front., 2016, 3, 1272-1279.

M. Fondo, J. Doejo, A. M. García-Deibe, J. Sanmartín-Matalobos, R. Vicente, M. S. El-Fallah, M. Amoza and E. Ruiz. «Predetermined Ferromagnetic Coupling via Strict Control of M-O-M Angles». Inorg. Chem., 2016, 55, 11707-11715.

K. Muñoz-Becerra, D. Aravena, E. Ruiz, E. Spodine, N. Soto-Donoso, V. Paredes-García and D. Venegas-Yazigi. «Models to predict the magnetic properties of single- and multiple-bridged phosphate Cu^II systems: a theoretical DFT insight». Inorg. Chem. Front., 2017, 4, in press.Doi: 10.1039/C6QI00394J.

D. Aravena, D. Venegas-Yazigi and E. Ruiz. «Exchange Interactions on the Highest-Spin Reported Molecule: the Mixed-Valence Fe₄₂ Complex.» Sci. Rep. 2016, 6, 23847.

F. A. Mautner, C. Berger, M. Scherzer, R. C. Fischer, L. Maxwell, E. Ruiz and R. Vicente, «Different topologies in three manganese-μ-azido 1D compounds: magnetic behavior and DFT-quantum Monte Carlo calculations». Dalton Trans., 2015, 44, 18632-18642.

P. Seth, A. Figuerola, J. Jover, E. Ruiz and A. Ghosh. «Ferro- to antiferromagnetic crossover angle in diphenoxido- and carboxylato-bridged trinuclear Ni(II)₂-Mn(II) complexes: Experimental observations and theoretical rationalization.» Inorg. Chem., 2014, 53, 9296-9305.

A. M. Ako, Y. Lan, O. Hampe, E. Cremades, E. Ruiz, C. E. Anson, A. K. Powell, «All-round robustness of the Mn₁₉ coordination cluster system: experimental validation of a theoretical prediction», Chem. Commun. 2014, 50, 5847.

F. Di Salvo, M. Y. Tsang, F. Teixidor, C. Viñas, J. G. Planas, J. Crassous, N. Vanthuyne, N. Aliaga-Alcalde, E. Ruiz, G. Coquerel, S. Clevers, V. Dupray, D. Choquesillo-Lazarte, M. E. Light, M. B. Hursthouse, «A Racemic and Enantiopure Unsymmetric Diiron(III) Complex with a Chiral o-Carborane-Based Pyridylalcohol Ligand: Combined Chiroptical, Magnetic, and Nonlinear Optical Properties», Chem. Eur. J. 2014, 20, 1081-1090.

S. Zartilas, C. Papatriantafyllopoulou, T. C. Stamatatos, V. Nastopoulos, E. Cremades, E. Ruiz, G. Christou, C. Lampropoulos, A. J. Tasiopoulos. «A Mn^II₆Mn^III₆ Single-Strand Molecular Wheel with a Reuleaux Triangular Topology: Synthesis, Structure, Magnetism, and DFT Studies», Inorg. Chem. 2013, 52, 12070-12079.

J.-D. Leng, J.-L. Liu, W.-Q. Lin, S. Gómez-Coca, D. Aravena, E. Ruiz, M.-L. Tong. «Unprecedented ferromagnetic dipolar interaction in a dinuclear holmium(III) complex: a combined experimental and theoretical study», Chem. Commun. 2013, 49, 9341.

S. Gómez-Coca, E. Ruiz. «A density functional theory approach to the magnetic properties of a coupled single-molecule magnet (Mn₇)₂ complex — An entangled qubit pair candidate», Can. J. Chem. 2013, 91, 866-871.

A. Jana, N. Aliaga-Alcalde, E. Ruiz, S. Mohanta. «Structures, magnetochemistry, Spectroscopy, Theorical Study, and Catechol Oxidase Activity of Dinuclear and Dimer-of-Dinuclear Mixed-Valence Mn^IIIMn^II Complexes Derived from a Macrocyclic Ligand», Inorg. Chem. 2013, 52, 7732-7746.

A. Ako, B. Burguer, Y. Lan, V. Mereacre, R. Clérac, G. Buth, S. Gómez-Coca, E. Ruiz, C. Anson, A. Powell. «Magnetic interactions Mediated by Diamagnetic Cations in [Mn₁₈M] (M= Sr²⁺, Y³⁺, Cd²⁺, and Lu³⁺) Coordination Clusters.» Inorg. Chem., 2013, 52, 5764-5774.

A. Ako, Y. Lan, V. Mereacre, E. Ruiz, D. Aravena, C. Anson, A. Powell. » Spins on a curved surface: an Fe^III₁₄ ferracalixarene», Dalton Trans. 2013, 42, 9606.

X. Bao, W. Liu, J.-L. Liu, S. Gómez-Coca, E. Ruiz, M.-L. Tong. “Self-Assembly of Pentanuclear Mesocate versus Octanuclear Helicate: Size Effect of the [M^II₂(μ₃-O/X)]ⁿ⁺ Triangle Core”, Inorg. Chem. 2013, 52, doi:10.1021/ic3024056.

J. Esteban, E. Ruiz, M. Font-Bardía, T. Calvet, A. Escuer. «Triangular Nickel Complexes Derived from 2-Pyridylcyanoxime: An Approach to the Magnetic Properties of the [Ni₃(μ₃-OH){pyC(R)NO}₃]²⁺ Core», Chem. Eur. J. 2012, 18, 3637-3648.

E. Colacio, J. Ruiz, A. J. Mota, M. A. Palacios, E. Cremades, E. Ruiz, F. J. White, E. K. Brechin. «Family of Carboxylate- and Nitrate-diphenoxo Triply Bridged Dinuclear Ni^IILn^III Complexes (Ln = Eu, Gd, Tb, Ho, Er, Y): Synthesis, Experimental and Theorical Magneto-Structural Studies, and Single-Molecule Magnet Behavior», Inorg. Chem. 2012, 51, 5857-5858.

D. Aravena and E. Ruiz, «The Dilemma of Cr^IIINi^II Exchange Interactions: Ferromagnetism versus Antiferromagnetism», Chem. Eur. J. 2011, 17, 8841-8849.

A. Hosoi, Y. Yukawa, S. Igarashi, S. J. Teat, O. Roubeau, M. Evangelisti, E. Cremades, E. Ruiz, L. A. Barrios and G. Aromi, «A Molecular Pair of [GdNi₃] Tetrahedra Bridged by Water Molecules», Chem. Eur. J. 2011, 17, 8264-8268.

S. Sasmal, S. Hazra, P. Kundu, S. Majumder, N. Aliaga-Alcalde, E. Ruiz and S. Mohanta, «Magneto-Structural Correlation Studies and Theoretical Calculations of a Unique Family of Single End-to-End Azide-Bridged Ni₄(II) Cyclic Clusters», Inorg. Chem. 2010, 49, 9517-9526.

D. Venegas-Yazigi, D. Aravena, E. Spodine, E. Ruiz and S. Alvarez, «Structural and electronic effects on the exchange interactions in dinuclear bis(phenoxo)-bridged copper(II) complexes», Coord. Chem. Rev. 2010, 254, 2086-2095.

C. Biswas, M. G. B. Drew, E. Ruiz, M. Estrader, C. Diaz and A. Ghosh, «Synthesis, crystal structure and magnetic properties of three unprecedented tri-nuclear and one very rare tetra-nuclear copper(II) Schiff-base complexes supported by mixed azido/phenoxo/nitrato or acetato bridges», Dalton Trans. 2010, 39, 7474-7484.

C. Biswas, M. G. B. Drew, A. Figuerola, S. Gomez-Coca, E. Ruiz, V. Tangoulis and A. Ghosh, «Magnetic coupling in trinuclear partial cubane copper(II) complexes with a hydroxo bridging core and peripheral phenoxo bridges from NNO donor Schiff base ligands», Inorg. Chim. Acta 2010, 363, 846-854.

G. A. Craig, L. A. Barrios, J. S. Costa, O. Roubeau, E. Ruiz, S. J. Teat, C. C. Wilson, L. Thomas and G. Aromi, «Synthesis of a novel heptacoordinated Fe(III) dinuclear complex: experimental and theoretical study of the magnetic properties», Dalton Trans. 2010, 39, 4874-4881.

E. Pardo, C. Train, R. Lescouezec, K. Boubekeur, E. Ruiz, F. Lloret and M. Verdaguer, «Synthesis, crystal structure and magnetic properties of two oxalato-bridged dimetallic trinuclear complexes combined with a polar cation», Dalton Trans. 2010, 39, 4951-4958.

S. Alvarez and E. Ruiz, «Antiferromagnetism or Delocalized Spin in a Cu₃S₂ Core?» Chem. Eur. J. 2010, 16, 2726-2728.

T. J. Mooibroek, G. Aromi, M. Quesada, O. Roubeau, P. Gamez, S. D. George, J. van Slageren, S. Yasin, E. Ruiz and J. Reedijk, «A Mixed-Valent Pentanuclear Cu₄^IICu^ICompound Containing a Radical-Anion Ligand», Inorg. Chem. 2009, 48, 10643-10651.

M. Fondo, N. Ocampo, A. M. Garcia-Deibe, E. Ruiz, J. Tercero and J. Sanmartin, «Discovering the Complex Chemistry of a Simple Ni^II/H₃L System: Magnetostructural Characterization and DFT Calculations of Di- and Polynuclear Nickel(II) Compounds», Inorg. Chem. 2009, 48, 9861-9873.

M. Biswas, G. Pilet, J. Tercero, M. S. El Fallah and S. Mitra, «Synthesis, crystal structure, and magnetic properties of a new tetranuclear Cu(II) Schiff base compound», Inorg. Chim. Acta 2009, 362, 2915-2920.

G. Manca, J. Cano and E. Ruiz, «Exchange Interactions in Azido-Bridged Ligand Ni(II) Complexes: A Theoretical Analysis», Inorg. Chem. 2009, 48, 3139-3144.

F. Setifi, S. Benmansour, M. Marchivie, G. Dupouy, S. Triki, J. Sala-Pala, J. Y. Salaun, C. J. Gomez-Garcia, S. Pillet, C. Lecomte and E. Ruiz, «Magnetic Bistability and Thermochromism in a Molecular Cu^II Chain», Inorg. Chem. 2009, 48, 1269-+.

E. Cremades, T. Cauchy, J. Cano and E. Ruiz, «Can theoretical methods go beyond the experimental data? The case of molecular magnetism», Dalton Trans. 2009, 5873-5878.

S. Roy, T. N. Mandal, A. K. Barik, S. Gupta, M. S. El Fallah, J. Tercero, R. J. Butcher and S. K. Kar, «Ferro- and anti-ferromagnetically coupled tetracopper(II) 2 x 2 homoleptic rectangular grids supported by both μ-O and μ-(N-N) bridges derived from a new pyrazole based polydentate Schiff base ligand-magneto-structural correlations and DFT calculation», Dalton Trans. 2009, 8215-8226.

T. Cauchy, E. Ruiz and S. Alvarez, «Exchange interactions in a Fe₅ complex: A theoretical study using density functional theory», Inorg. Chim. Acta 2008, 361, 3832-3835.

J. Cirera and E. Ruiz, «Exchange coupling in Cu^IIGd^III dinuclear complexes: A theoretical perspective», C. R. Chim. 2008, 11, 1227-1234.

B. Gillon, J. Larionova, E. Ruiz, Q. Nau, A. Goujon, F. Bonadio and S. Decurtins, «Experimental and theoretical study of the spin ground state of the high-spin molecular cluster [Ni^II{Ni^II(CH₃OH)₃}₈(μ-CN)₃₀{W^V(CN)₃}₆]·15CH₃OH by polarised neutron diffraction and density functional theory calculations», Inorg. Chim. Acta 2008, 361, 3609-3615.

S. Gupta, S. Pal, A. K. Barik, A. Hazra, S. Roy, T. N. Mandal, S. M. Peng, G. H. Lee, M. S. El Fallah, J. Tercero and S. K. Kar, «Synthesis, characterization and magnetostructural correlation studies on three binuclear copper complexes of pyrimidine derived Schiff base ligands», Polyhedron 2008, 27, 2519-2528.

S. Thakurta, J. Chakraborty, G. Rosair, J. Tercero, M. S. El Fallah, E. Garribba and S. Mitra, «Synthesis of two new linear trinuclear Cu^II complexes: Mechanism of magnetic coupling through hybrid B3LYP functional and CShM studies», Inorg. Chem. 2008, 47, 6227-6235.

M. S. El Fallah, R. Vicente, J. Tercero, C. Elpelt, E. Rentschler, X. Solans and M. Font-Bardia, «2D copper(II) complex built from N-methyl-1,3-diamino-2-propanolate and azide ligands: Structure, magnetic, and DFT studies», Inorg. Chem. 2008, 47, 6322-6328.

R. Vicente, J. Cano, E. Ruiz, S. S. Massoud and F. A. Mautner, «Squarato-Metal(II) complexes. 2. Unusual bonding mode for a squarato-bridged trinuclear Copper(II) complex», Inorg. Chem. 2008, 47, 4648-4655.

C. Loose, E. Ruiz, B. Kersting and J. Kortus, «Magnetic exchange interaction in triply bridged dinickel(II) complexes», Chem. Phys. Lett. 2008, 452, 38-43.

S. Roy, T. N. Mandal, A. K. Barik, S. Gupta, R. J. Butcher, M. S. El Fallah, J. Tercero and S. K. Kar, «A pyrazole-based orthogonal ferromagnetically coupled [2 x 2] homoleptic square Cu⁴ grid: Magnetostructural correlations», Polyhedron 2008, 27, 105-112.

E. Pardo, R. Carrasco, R. Ruiz-Garcia, M. Julve, F. Lloret, M. C. Munoz, Y. Journaux, E. Ruiz and J. Cano, «Structure and magnetism of dinuclear Copper(II) metallacyclophanes with oligoacenebis(oxamate) bridging ligands: Theoretical predictions on wirelike magnetic coupling», J. Am. Chem. Soc. 2008, 130, 576-585.

C. Aronica, Y. Chumakov, E. Jeanneau, D. Luneau, P. Neugebauer, A. L. Barra, B. Gillon, A. Goujon, A. Cousson, J. Tercero and E. Ruiz, «Structure, Magnetic Properties, Polarized Neutron Diffraction, and Theoretical Study of a Copper(II) Cubane», Chem. Eur. J. 2008, 14, 9540-9548.

T. C. Stamatatos, G. S. Papaefstathiou, L. R. MacGillivray, A. Escuer, R. Vicente, E. Ruiz and S. P. Perlepes, «Ferromagnetic coupling in a 1D coordination polymer containing a symmetric [Cu(μ_1,1-N₃)₂Cu(μ_1,1-N₃)₂Cu]²⁺ core and based on an organic ligand obtained from the solid state», Inorg. Chem. 2007, 46, 8843-8850.

E. Ruiz, J. Cano, S. Alvarez, P. Gouzerh and M. Verdaguer, «Theoretical study of the exchange coupling interactions in a polyoxometalate Fe₉W₁₂ complex», Polyhedron2007, 26, 2161-2164.

G. Fernandez, M. Corbella, G. Aullon, M. A. Maestro and J. Mahia, «New dinuclear Mn^III compounds with 2-MeC₆H₄COO and 2-FC₆H₄COO bridges – Effect of terminal monodentate ligands (H₂O, ClO₄^– and NO₃^–) on the magnetic properties», Eur. J. Inorg. Chem. 2007, 1285-1296.

B. Gillon, A. Goujon, S. Willemin, J. Larionova, C. Desplanches, E. Ruiz, G. Andre, J. A. Stride and C. Guerin, «Neutron diffraction and theoretical DFT studies of two dimensional molecular-based magnet K₂[Mn(H₂O)₂]₃[Mo(CN)₇]₂·6H₂O», Inorg. Chem. 2007, 46, 1090-1099.

F. Pointillart, C. Train, F. Villain, C. C. D. Moulin, P. Gredin, L. M. Chamoreau, M. Gruselle, G. Aullon, S. Alvarez and M. Verdaguer, «Six-fold oxygen-coordinated triplet (S=1) palladium(II) moieties templated by tris(bipyridine)ruthenium(II) ions», J. Am. Chem. Soc. 2007, 129, 1327-1334.

F. Nunzi, E. Ruiz, J. Cano and S. Alvarez, «Strong antiferromagnetic coupling at long distance through a ligand to metal charge transfer mechanism», J. Phys. Chem. C2007, 111, 618-621.

T. Cauchy, E. Ruiz, O. Jeannin, M. Nomura and M. Fourmigue, «Strong magnetic interactions through weak bonding interactions in organometallic radicals: Combined experimental and theoretical study», Chem. Eur. J. 2007, 13, 8858-8866.

B. Sarkar, M. S. Ray, Y. Z. Li, Y. Song, A. Figuerola, E. Ruiz, J. Cirera, J. Cano and A. Ghosh, «Ferromagnetic coupling in trinuclear, partial cubane Cu^II complexes with a μ₃-OH core: Magnetostructural correlations», Chem. Eur. J. 2007, 13, 9297-9309.

S. Roy, T. N. Mandal, A. K. Barik, S. Pal, R. J. Butcher, M. S. El Fallah, J. Tercero and S. K. Kar, «An orthogonal ferromagnetically coupled tetracopper(II) 2 x 2 homoleptic grid supported by μ-O₄ bridges and its DFT study», Dalton Trans. 2007, 1229-1234.

C. E. Talbot-Eeckelaers, G. Rajaraman, J. Cano, G. Aromi, E. Ruiz and E. K. Brechin, «Encouraging chromium(III) ions to form larger clusters: Syntheses, structures, magnetic properties and theoretical studies of di- and octametallic Cr clusters», Eur. J. Inorg. Chem. 2006, 3382-3392.

J. Cirera, E. Ruiz and S. Alvarez, «Shape and spin state in four-coordinate transition-metal complexes: The case of the d⁶ configuration», Chem. Eur. J. 2006, 12, 3162-3167.

D. M. Low, G. Rajaraman, M. Helliwell, G. Timco, J. van Slageren, R. Sessoli, S. T. Ochsenbein, R. Bircher, C. Dobe, O. Waldmann, H. U. Gudel, M. A. Adams, E. Ruiz, S. Alvarez and E. J. L. McInnes, «A family of ferro- and antiferromagnetically coupled decametallic chromium(III) wheels», Chem. Eur. J. 2006, 12, 1385-1396.

E. Ruiz, M. Llunell, J. Cano, P. Rabu, M. Drillon and C. Massobrio, «Theoretical determination of multiple exchange couplings and magnetic susceptibility data in inorganic solids: The prototypical case of Cu₂(OH)₃NO₃«, J. Phys. Chem. B 2006, 110, 115-118.

J. Tercero, E. Ruiz, S. Alvarez, A. Rodriguez-Fortea and P. Alemany, «Density functional study of magnetostructural correlations in cubane complexes containing the Cu₄O₄core», J. Mater. Chem. 2006, 16, 2729-2735.

E. Ruiz, J. Cirera and S. Alvarez, «Spin density distribution in transition metal complexes», Coord. Chem. Rev. 2005, 249, 2649-2660.

E. C. Brown, J. T. York, W. E. Antholine, E. Ruiz, S. Alvarez and W. B. Tolman, «[Cu₃(μ-S)₂]³⁺ clusters supported by N-donor ligands: Progress toward a synthetic model of the catalytic site of nitrous oxide reductase», J. Am. Chem. Soc. 2005, 127, 13752-13753.

S. Triki, C. J. Gomez-Garcia, E. Ruiz and J. Sala-Pala, «Asymmetric azido-copper(II) bridges: Ferro- or antiferromagnetic? Experimental and theoretical magneto-structural studies», Inorg. Chem. 2005, 44, 5501-5508.

M. Fondo, A. M. Garcia-Deibe, M. Corbella, E. Ruiz, J. Tercero, J. Sanmartin and M. R. Bermejo, «Unexpected ferromagnetic interaction in a new tetranuclear copper(II) complex: Synthesis, crystal structure, magnetic properties, and theoretical studies», Inorg. Chem. 2005, 44, 5011-5020.

S. Willemin, J. Larionova, H. Bolvin, B. Donnadieu, X. F. Le Goff, E. Ruiz, C. Guerin and B. Henner, «Cation templation of Mn2+/[Mo(CN)(7)](4-) system: Formation of pseudo-dimorphs (NH4)(2)Mn-3(H2O)(4)[Mo(CN)(7)](2) center dot nH(2)O(n=4, 5)», Polyhedron 2005, 24, 1033-1046.

S. Banerjee, M. G. B. Drew, C. Z. Lu, J. Tercero, C. Diaz and A. Ghosh, «Dinuclear complexes of M^II thiocyanate (M = Ni and Cu) containing a tridentate Schiff-base ligand: Synthesis, structural diversity and magnetic properties», Eur. J. Inorg. Chem. 2005, 2376-2383.

E. Ruiz and S. Alvarez, «Theoretical study of the magnetic behavior of ferric wheels», ChemPhysChem 2005, 6, 1094-1099.

E. Ruiz, A. Rodriguez-Fortea, S. Alvarez and M. Verdaguer, «Is it possible to get high T_c magnets with Prussian blue analogues? A theoretical prospect», Chem. Eur. J.2005, 11, 2135-2144.

E. Ruiz, G. Rajaraman, S. Alvarez, B. Gillon, J. Stride, R. Clerac, J. Larionova and S. Decurtins, «Symmetry and topology determine the Mo^V-CN-Mn^II exchange interactions in high-spin molecules», Angew. Chem. Int. Ed. 2005, 44, 2711-2715.

A. Escuer, V. Mc Kee, J. Nelson, E. Ruiz, N. Sanz and R. Vicente, «Ferromagnetic interaction in μ_1,3-cyanamido-derived copper(II) cryptates», Chem. Eur. J. 2005, 11, 398-405.

A. Rodriguez-Fortea, E. Ruiz, S. Alvarez and P. Alemany, «Exchange coupling in μ-aqua:μ-oxo vs. di-μ-hydroxo dinuclear Cu(II) compounds: a density functional study», Dalton Trans. 2005, 2624-2629.

X. Ribas, J. C. Dias, J. Morgado, K. Wurst, E. Molins, E. Ruiz, M. Almeida, J. Veciana and C. Rovira, «Novel Cu(III) bis-1,2-dichalcogenene complexes with tunable 3D framework through alkaline cation coordination: A structural and theoretical study», Chem. Eur. J. 2004, 10, 1691-1704.

A. Rodriguez-Fortea, P. Alemany, S. Alvarez and E. Ruiz, «A theoretical study of the exchange coupling in hydroxo- and alkoxo-bridged dinuclear oxovanadium(IV) compounds», Eur. J. Inorg. Chem. 2004, 143-153.

E. Ruiz, A. Rodriguez-Fortea and S. Alvarez, «Tailor-made strong exchange magnetic coupling through very long bridging ligands: Theoretical predictions», Inorg. Chem.2003, 42, 4881-4884.

E. Ruiz, J. Cano, S. Alvarez, A. Caneschi and D. Gatteschi, «Theoretical study of the magnetic behavior of hexanuclear Cu(II) and Ni(II) polysiloxanolato complexes», J. Am. Chem. Soc. 2003, 125, 6791-6794.

J. Tercero, C. Diaz, J. Ribas, M. Maestro, J. Mahia and H. Stoeckli-Evans, «Oxamato-bridged trinuclear Ni^IICu^IINi^II complexes: A new (Ni^IICu^IINi^II)₂ hexanuclear complex and supramolecular structures. Characterization and magnetic properties», Inorg. Chem. 2003, 42, 3366-3373.

C. Desplanches, E. Ruiz and S. Alvarez, «Exchange coupling in metal complexes of the second transition series: A theoretical exploration», Eur. J. Inorg. Chem. 2003, 1756-1760.

Z. Q. Xu, L. K. Thompson, D. O. Miller, E. Ruiz and S. Alvarez, «A novel hexanuclear mixed oxidation state (Cu^II₄Cu^I₂) cluster complex exhibiting weak ferromagnetic exchange», Inorg. Chem. 2003, 42, 1107-1111.

A. Rodriguez-Fortea, E. Ruiz, P. Alemany and S. Alvarez, «Magneto-structural correlations in trinuclear Cu(II) complexes: A density functional study», Monatsh. Chem.2003, 134, 307-316.

E. M. Tejada-Rosales, J. Rodriguez-Carvajal, N. Casan-Pastor, P. Alemany, E. Ruiz, M. S. El-Fallah, S. Alvarez and P. Gomez-Romero, «Room-temperature synthesis and crystal, magnetic, and electronic structure of the first silver copper oxide», Inorg. Chem. 2002, 41, 6604-6613.

J. Tercero, C. Diaz, J. Ribas, E. Ruiz, J. Mahia and M. Maestro, «New oxamidato-bridged Cu^II-Ni^II complexes: Supramolecular structures with thiocyanate Ligands and hydrogen bonds. Magnetostructural studies: DFT calculations», Inorg. Chem. 2002, 41, 6780-6789.

B. Gillon, C. Mathoniere, E. Ruiz, S. Alvarez, A. Cousson, T. M. Rajendiran and O. Kahn, «Spin densities in a ferromagnetic bimetallic chain compound: Polarized neutron diffraction and DFT calculations», J. Am. Chem. Soc. 2002, 124, 14433-14441.

C. Desplanches, E. Ruiz and S. Alvarez, «Early-late transition metal ferromagnetic coupling mediated by hydrogen bonding», Chem. Commun. 2002, 2614-2615.

J. Tercero, C. Diaz, J. Ribas, J. Mahia and M. A. Maestro, «New oxamato-bridged trinuclear Cu^II-Cu^II-Cu^II complexes with hydrogen-bond supramolecular structures: Synthesis and magneto-structural studies», Inorg. Chem. 2002, 41, 5373-5381.

A. Rodriguez-Fortea, P. Alemany, S. Alvarez and E. Ruiz, «Exchange coupling in halo-bridged dinuclear Cu(II) compounds: A density functional study», Inorg. Chem.2002, 41, 3769-3778.

E. Ruiz, C. de Graaf, P. Alemany and S. Alvarez, «Further theoretical evidence for the exceptionally strong ferromagnetic coupling in oxo-bridged Cu(II) dinuclear complexes», J. Phys. Chem. A 2002, 106, 4938-4941.

C. Desplanches, E. Ruiz, A. Rodriguez-Fortea and S. Alvarez, «Exchange coupling of transition-metal ions through hydrogen bonding: A theoretical investigation», J. Am. Chem. Soc. 2002, 124, 5197-5205.

J. Tercero, C. Diaz, J. Ribas, J. Mahia and M. Maestro, «Synthesis and characterization of [Cu(Me₂oxpn)Ni(NO₂)(tmen)](ClO₄): a single ferrimagnetic dinuclear Cu^II-Ni^IIcomplex acting as weak molecule-based magnet», Chem. Commun. 2002, 364-365.

J. Tercero, C. Diaz, J. Ribas, J. Mahia, M. Maestro and X. Solans, «Synthesis, characterization, and magnetic properties of new complexes based on self-assembled homotrinuclear units Cu^II-Cu^II-Cu^II«, J. Chem. Soc. Dalton Trans. 2002, 2040-2046.

A. Rodriguez-Fortea, P. Alemany, S. Alvarez and E. Ruiz, «Exchange coupling in carboxylato-bridged dinuclear copper(II) compounds: A density functional study», Chem. Eur. J. 2001, 7, 627-637.

J. Tercero, C. Diaz, M. S. El Fallah, J. Ribas, X. Solans, M. A. Maestro and J. Mahia, «Synthesis, characterization, and magnetic properties of self-assembled compounds based on discrete homotrinuclear complexes of Cu(II)», Inorg. Chem. 2001, 40, 3077-3083.

L. Gutierrez, G. Alzuet, J. Borras, A. Castineiras, A. Rodriguez-Fortea and E. Ruiz, «Copper(II) complexes with 4-amino-N-[4,6-dimethyl-2-pyrimidinyl]benzenesulfonamide. Synthesis, crystal structure, magnetic properties, EPR, and theoretical studies of a novel mixed μ-carboxylato, NCN-bridged dinuclear copper compound», Inorg. Chem.2001, 40, 3089-3096.

E. Ruiz, A. Rodriguez-Fortea, P. Alemany and S. Alvarez, «Density functional study of the exchange coupling in distorted cubane complexes containing the Cu₄O₄core», Polyhedron 2001, 20, 1323-1327.

A. Rodriguez-Fortea, P. Alemany, S. Alvarez, E. Ruiz, A. Scuiller, C. Decroix, V. Marvaud, J. Vaissermann, M. Verdaguer, I. Rosenman and M. Julve, «Exchange coupling in cyano-bridged homodinuclear Cu(II) and Ni(II) complexes: Synthesis, structure, magnetism, and density functional theoretical study», Inorg. Chem. 2001, 40, 5868-5877.

F. F. de Biani, E. Ruiz, J. Cano, J. J. Novoa and S. Alvarez, «Magnetic coupling in end-to-end azido-bridged copper and nickel binuclear complexes: A theoretical study», Inorg. Chem. 2000, 39, 3221-3229.

C. Diaz, J. Ribas, R. Costa, J. Tercero, M. S. El Fallah, X. Solans and M. Font-Bardia, «Reactions between dinuclear Cu-II-Ni-II complexes and the nitrito ligand: A new one-dimensional complex [Cu(oxpn)Ni(μ-NO₂)(trimen)]_n(ClO₄)_n with nitrite acting as a tridentate bridging ligand and ferro- and antiferromagnetic alternation», Eur. J. Inorg. Chem. 2000, 675-681.

E. Ruiz, J. Cano, S. Alvarez, P. Alemany and M. Verdaguer, «Theoretical approach to the magnetostructural correlations in the spin-Peierls compound CuGeO₃«, Phys. Rev. B2000, 61, 54-57.

J. Cano, A. Rodriguez-Fortea, P. Alemany, S. Alvarez and E. Ruiz, «Asymmetry and magnetism in bis(oximato)-bridged heterobimetallic compounds: A computational approach», Chem. Eur. J. 2000, 6, 327-333.

J. Cano, E. Ruiz, P. Alemany, F. Lloret and S. Alvarez, «Theoretical study of the exchange coupling in copper(II) binuclear compounds with oxamidate and related polyatomic bridging ligands», J. Chem. Soc. Dalton Trans. 1999, 1669-1676.

E. Ruiz, S. Alvarez and P. Alemany, «Theoretical search for new ferromagnetically coupled transition metal complexes», Chem. Commun. 1998, 2767-2768.

E. Ruiz, J. Cano, S. Alvarez and P. Alemany, «Magnetic coupling in end-on azido-bridged transition metal complexes: A density functional study», J. Am. Chem. Soc. 1998, 120, 11122-11129.

J. Cano, P. Alemany, S. Alvarez, M. Verdaguer and E. Ruiz, «Exchange coupling in oxalato-bridged copper(II) binuclear compounds: A density functional study», Chem. Eur. J.1998, 4, 476-484.

J. Cano, E. Ruiz, S. Alvarez and M. Verdaguer, «Spin density distribution in transition metal complexes: Some thoughts and hints», Comments Inorg. Chem. 1998, 20, 27-56.

E. Ruiz, P. Alemany, S. Alvarez and J. Cano, «Structural modeling and magneto-structural correlations for hydroxo-bridged copper(II) binuclear complexes», Inorg. Chem.1997, 36, 3683-3688.

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Spin Crossover Systems

M. J. Heras Ojea, J. M. Van Raden, S. Louie, R. Collins, D. Pividori, J. Cirera, K. Meyer, R. Jasti, R. A. Layfield. “Spin-Crossover Properties of an Iron(II) Coordination Nanohoop”. Angew. Chem. Int. Ed., 2021, 60(7), 3515-3518.

S. K. Karuppannan, A. Martin-Rodriguez, E. Ruiz, P. Harding, D. J. Harding, X. Yu, A. Tadich, B. Cowie, D. Qi, C. A. Nijhuis. “Room temperature conductance switching in a molecular iron(III) spin crossover junction”. Chem. Sci., 2021, 12, 2381-2388.

L. Piñeiro-López, N. Ortega-Villar, M. C. Muñoz, G. Molnár, J. Cirera, R. Moreno-Esparza, V. M. Ugalde-Saldívar, A. Bousseksou, E. Ruiz and J. A. Real. «Electronic Structure Modulation in an Exceptionally Stable Non-Heme Nitrosyl Iron(II) Spin-Crossover Complex.» Chem. Eur. J. 2016, 22, 12741-12751. Doi: 10.1002/chem.201601172.

J. Cirera and E. Ruiz. «Theoretical Modeling of the Ligand-Tuning Effect over the Transition Temperature in Four-coordinated Fe(II) Molecules». Inorg. Chem., 2016, 55, 1657-1663.

J. Cirera and E. Ruiz, «Theoretical modeling of two-step spin-crossover transitions in Fe^II dinuclear systems». J. Mater. Chem. C, 2015, 3, 7954-7961.

D. Aravena, Z. A. Castillo, M. C. Muñoz, A. B. Gaspar, K. Yoneda, R. Ohtani, A. Mishima, S. Kitagawa, M. Ohba, J. A. Real and E. Ruiz. «Guest modulation of spin-crossover transition temperature in a porous iron(ii) metal-organic framework: Experimental and periodic DFT studies». Chem. Eur. J., 2014, 20, 12864-12873.

N. Bridonneau, J. Long, J.-L. Cantin, J. von Bardeleben, S. Pillet, E.-E. Bendeif, D. Aravena, E. Ruiz, V. Marvaud. «First evidence of light- induced spin transition in molybdenum(IV)». Chem. Commun., 2015, 51, 8229-8232.

S. Canton, X. Zhang, L. Lawson Daku, Y. Liu, J. Zhang and S. Alvarez. «Mapping the Ultrafast Changes of Continuous Shape Measures in Photoexcited Spin Crossover Complexes without Long-Range Order». J. Phys. Chem. C. 2015, 119, 3322-3330. Doi:10.1021/jp5117189.

L. J. K. Cook, R. Mohammed, G. Sherborne, S. Alvarez and M. Halcrow, “Spin-state Behaviour of Iron(II)Dipyrazolylpyridine Complexes. New Insights from Crystallographic and Solution Measurements». Coord. Chem. Rev., 2015, 289-290, 2-12. Doi: 10.1016/j.ccr.2014.08.006.

Z. Yan, Z.-P. Ni, F.-S. Guo, J.-Y. Li, Y.-C. Chen, J.-L. Liu, W.-Q. Lin, D. Aravena, E. Ruiz, M.-L. Tong. «Spin-Crossover Behavior in Two New Supramolecular Isomers», Inorg. Chem. 2014, 53, 201-208.

Z. Arcís-Castillo, F. J. Muñoz-Lara, M. C. Muñoz, D. Aravena, A. B. Gaspar, J. F. Sánchez-Royo, E. Ruiz, M. Ohba, R. Matsuda, S. Kitagawa, J. A. Real. «Reversible Chemisorption of Sulfur Dioxide in a Spin Crossover Porous Coordination Polymer», Inorg. Chem. 2013, 52, 12777-12783.

F. J. Muñoz Lara, A. B. Gaspar, D. Aravena, E. Ruiz, M. C. Muñoz, M. Ohba, R. Ohtani, S. Kitagawa, J. A. Real. «Enhanced bistability by guest inclusion in Fe(II) spin crossover porous coordination polymers», Chem. Commun. 2012, 48, 4686-4688.

S. Alvarez. «Relationships Between Temperature, Magnetic Moment and Continuous Symmetry Measures in Spin Crossover Complexes». J. Am. Chem. Soc., 2003, 125, 6795-6802