Magnetic properties of closo-carborane-based Co(II) single-ion complexes with O, S, Se, and Te bridging atoms

Oña, Ofelia B.; Alcoba, Diego R.; Massaccesi, Gustavo E.; Torre, Alicia; Lain, Luis; Melo, Juan I.; Oliva-Enrich, Josep M.; Peralta, Juan E.

doi:10.1016/j.poly.2019.114257

Title: Magnetic properties of closo-carborane-based Co(II) single-ion complexes with O, S, Se, and Te bridging atoms

Journal Article · 01 January 2020 · Polyhedron

DOI: https://doi.org/10.1016/j.poly.2019.114257 · OSTI ID:1777624

Oña, Ofelia B.; Alcoba, Diego R.; Massaccesi, Gustavo E.; Torre, Alicia; Lain, Luis; Melo, Juan I.; Oliva-Enrich, Josep M.; Peralta, Juan E.

Not Available

View Accepted Manuscript (Publisher)

Cite

Export

Save

Sponsoring Organization:: USDOE Office of Science (SC), Basic Energy Sciences (BES)

Grant/Contract Number:: SC0005027

OSTI ID:: 1777624

Journal Information:: Polyhedron, Journal Name: Polyhedron Journal Issue: C Vol. 176; ISSN 0277-5387

Publisher:: ElsevierCopyright Statement

Country of Publication:: United Kingdom

Language:: English

References (31)

Mapping the Stereochemistry and Symmetry of Tetracoordinate Transition-Metal Complexes Cirera, Jordi; Alemany, Pere; Alvarez, Santiago Chemistry - A European Journal, Vol. 10, Issue 1 https://doi.org/10.1002/chem.200305074	journal	January 2004
Shape and Spin State in Four-Coordinate Transition-Metal Complexes: The Case of the d6 Configuration Cirera, Jordi; Ruiz, Eliseo; Alvarez, Santiago Chemistry - A European Journal, Vol. 12, Issue 11 https://doi.org/10.1002/chem.200501516	journal	April 2006
Density functional studies of molecular magnets Postnikov, Andrei V.; Kortus, Jens; Pederson, Mark R. physica status solidi (b), Vol. 243, Issue 11 https://doi.org/10.1002/pssb.200541490	journal	September 2006
Electronic structure studies of diradicals derived from Closo-Carboranes Oliva, Josep M.; Alcoba, Diego R.; Lain, Luis Theoretical Chemistry Accounts, Vol. 132, Issue 3 https://doi.org/10.1007/s00214-012-1329-1	journal	January 2013
Toward (car)borane-based molecular magnets Oliva, Josep M.; Alcoba, Diego R.; Oña, Ofelia B. Theoretical Chemistry Accounts, Vol. 134, Issue 2 https://doi.org/10.1007/s00214-014-1611-5	journal	January 2015
Determination of exchange coupling constants in linear polyradicals by means of local spins Oña, Ofelia B.; Alcoba, Diego R.; Torre, Alicia Theoretical Chemistry Accounts, Vol. 136, Issue 3 https://doi.org/10.1007/s00214-017-2059-1	journal	February 2017
Integral approximations for LCAO-SCF calculations Vahtras, O.; Almlöf, J.; Feyereisen, M. W. Chemical Physics Letters, Vol. 213, Issue 5-6 https://doi.org/10.1016/0009-2614(93)89151-7	journal	October 1993
N-electron valence state perturbation theory: a fast implementation of the strongly contracted variant Angeli, Celestino; Cimiraglia, Renzo; Malrieu, Jean-Paul Chemical Physics Letters, Vol. 350, Issue 3-4 https://doi.org/10.1016/S0009-2614(01)01303-3	journal	December 2001
Shape maps and polyhedral interconversion paths in transition metal chemistry Alvarez, S.; Alemany, P.; Casanova, D. Coordination Chemistry Reviews, Vol. 249, Issue 17-18 https://doi.org/10.1016/j.ccr.2005.03.031	journal	September 2005
First principles approach to the electronic structure, magnetic anisotropy and spin relaxation in mononuclear 3d-transition metal single molecule magnets Atanasov, Mihail; Aravena, Daniel; Suturina, Elizaveta Coordination Chemistry Reviews, Vol. 289-290 https://doi.org/10.1016/j.ccr.2014.10.015	journal	April 2015
Magneto-Structural Correlations in a Series of Pseudotetrahedral [Co ^II (XR) ₄ ] ^2– Single Molecule Magnets: An ab Initio Ligand Field Study Suturina, Elizaveta A.; Maganas, Dimitrios; Bill, Eckhard Inorganic Chemistry, Vol. 54, Issue 20 https://doi.org/10.1021/acs.inorgchem.5b01706	journal	October 2015
Magnetic Properties of Mononuclear Co(II) Complexes with Carborane Ligands Alcoba, Diego R.; Oña, Ofelia B.; Massaccesi, Gustavo E. Inorganic Chemistry, Vol. 57, Issue 13 https://doi.org/10.1021/acs.inorgchem.8b00815	journal	June 2018
Magnetic Properties of Co(II) Complexes with Polyhedral Carborane Ligands Oña, Ofelia B.; Alcoba, Diego R.; Massaccesi, Gustavo E. Inorganic Chemistry, Vol. 58, Issue 4 https://doi.org/10.1021/acs.inorgchem.8b03156	journal	January 2019
Spin State Energetics in First-Row Transition Metal Complexes: Contribution of (3s3p) Correlation and Its Description by Second-Order Perturbation Theory Pierloot, Kristine; Phung, Quan Manh; Domingo, Alex Journal of Chemical Theory and Computation, Vol. 13, Issue 2 https://doi.org/10.1021/acs.jctc.6b01005	journal	January 2017
Theoretical Analysis of the Spin Hamiltonian Parameters in Co ^(II) S ₄ Complexes, Using Density Functional Theory and Correlated ab initio Methods Maganas, Dimitrios; Sottini, Silvia; Kyritsis, Panayotis Inorganic Chemistry, Vol. 50, Issue 18 https://doi.org/10.1021/ic200299y	journal	September 2011
A Mononuclear Transition Metal Single-Molecule Magnet in a Nuclear Spin-Free Ligand Environment Fataftah, Majed S.; Zadrozny, Joseph M.; Rogers, Dylan M. Inorganic Chemistry, Vol. 53, Issue 19 https://doi.org/10.1021/ic501906z	journal	September 2014
Continuous Symmetry Measures. 5. The Classical Polyhedra Pinsky, Mark; Avnir, David Inorganic Chemistry, Vol. 37, Issue 21 https://doi.org/10.1021/ic9804925	journal	October 1998
Dodecamethylcarba- closo -dodecaboranyl (CB ₁₁ Me ₁₂ ^• ), a Stable Free Radical King, Benjamin T.; Noll, Bruce C.; McKinley, Allan J. Journal of the American Chemical Society, Vol. 118, Issue 44 https://doi.org/10.1021/ja9622160	journal	January 1996
A Trigonal Prismatic Mononuclear Cobalt(II) Complex Showing Single-Molecule Magnet Behavior Novikov, Valentin V.; Pavlov, Alexander A.; Nelyubina, Yulia V. Journal of the American Chemical Society, Vol. 137, Issue 31 https://doi.org/10.1021/jacs.5b05739	journal	July 2015
Magnetic bistability in a metal-ion cluster Sessoli, R.; Gatteschi, D.; Caneschi, A. Nature, Vol. 365, Issue 6442 https://doi.org/10.1038/365141a0	journal	September 1993
A four-coordinate cobalt(II) single-ion magnet with coercivity and a very high energy barrier Rechkemmer, Yvonne; Breitgoff, Frauke D.; van der Meer, Margarethe Nature Communications, Vol. 7, Issue 1 https://doi.org/10.1038/ncomms10467	journal	February 2016
What is not required to make a single molecule magnet Neese, Frank; Pantazis, Dimitrios A. Faraday Discuss., Vol. 148 https://doi.org/10.1039/C005256F	journal	January 2011
A carborane-incorporated mononuclear Co( ii ) complex showing zero-field slow magnetic relaxation Tu, Deshuang; Shao, Dong; Yan, Hong Chemical Communications, Vol. 52, Issue 99 https://doi.org/10.1039/C6CC07728E	journal	January 2016
Enhanced magnetic anisotropy in a tellurium-coordinated cobalt single-ion magnet Yao, Xiao-Nan; Yang, Mu-Wen; Xiong, Jin Inorganic Chemistry Frontiers, Vol. 4, Issue 4 https://doi.org/10.1039/C6QI00543H	journal	January 2017
Balanced basis sets of split valence, triple zeta valence and quadruple zeta valence quality for H to Rn: Design and assessment of accuracy Weigend, Florian; Ahlrichs, Reinhart Physical Chemistry Chemical Physics, Vol. 7, Issue 18, p. 3297-3305 https://doi.org/10.1039/b508541a	journal	January 2005
Introduction of n -electron valence states for multireference perturbation theory Angeli, C.; Cimiraglia, R.; Evangelisti, S. The Journal of Chemical Physics, Vol. 114, Issue 23 https://doi.org/10.1063/1.1361246	journal	June 2001
n -electron valence state perturbation theory: A spinless formulation and an efficient implementation of the strongly contracted and of the partially contracted variants Angeli, Celestino; Cimiraglia, Renzo; Malrieu, Jean-Paul The Journal of Chemical Physics, Vol. 117, Issue 20 https://doi.org/10.1063/1.1515317	journal	November 2002
Fully optimized contracted Gaussian basis sets for atoms Li to Kr Schäfer, Ansgar; Horn, Hans; Ahlrichs, Reinhart The Journal of Chemical Physics, Vol. 97, Issue 4 https://doi.org/10.1063/1.463096	journal	August 1992
Density-functional exchange-energy approximation with correct asymptotic behavior Becke, A. D. Physical Review A, Vol. 38, Issue 6 https://doi.org/10.1103/PhysRevA.38.3098	journal	September 1988
Density-functional approximation for the correlation energy of the inhomogeneous electron gas Perdew, John P. Physical Review B, Vol. 33, Issue 12 https://doi.org/10.1103/PhysRevB.33.8822	journal	June 1986
Single-Molecule Magnets Christou, George; Gatteschi, Dante; Hendrickson, David N. MRS Bulletin, Vol. 25, Issue 11 https://doi.org/10.1557/mrs2000.226	journal	November 2000

Similar Records

Magnetic properties of closo-carborane-based Co(II) single-ion complexes with O, S, Se, and Te bridging atoms

Journal Article · 2020 · Polyhedron · OSTI ID:1801647

Oña, Ofelia B.; Alcoba, Diego R.; Massaccesi, Gustavo E.; +5 more

Magnetic Properties of Mononuclear Co(II) Complexes with Carborane Ligands

Journal Article · 2018 · Inorganic Chemistry · OSTI ID:1539101

Alcoba, Diego R.; Oña, Ofelia B.; Massaccesi, Gustavo E.; +5 more

Magnetic Properties of Co(II) Complexes with Polyhedral Carborane Ligands

Journal Article · 2019 · Inorganic Chemistry · OSTI ID:1610799

Oña, Ofelia B.; Alcoba, Diego R.; Massaccesi, Gustavo E.; +5 more

Title: Magnetic properties of closo-carborane-based Co(II) single-ion complexes with O, S, Se, and Te bridging atoms

Citation Formats

References (31)

Similar Records

Related Subjects