Please use this identifier to cite or link to this item: http://hdl.handle.net/2445/154600
Title: A low spin manganese(IV) nitride single molecule magnet
Author: Ding, Mei
Cutsail, George E. IIIiii
Aravena, Daniel
Amoza Dávila, Martín
Rouzières, Mathieu
Dechambenoit, Pierre
Losovyj, Yaroslav
Pink, Maren
Ruiz Sabín, Eliseo
Clerac, Rodolphe
Smith, Jeremy M.
Keywords: Anisotropia
Imants
Teoria quàntica
Anisotropy
Magnets
Quantum theory
Issue Date: 1-Jan-2016
Publisher: Royal Society of Chemistry
Abstract: Structural, spectroscopic and magnetic methods have been used to characterize the tris(carbene) borate compound PhB(MesIm)(3)Mn equivalent to N as a four-coordinate manganese(IV) complex with a low spin (S = 1/2) configuration. The slow relaxation of the magnetization in this complex, i.e. its single-molecule magnet (SMM) properties, is revealed under an applied dc field. Multireference quantum mechanical calculations indicate that this SMM behavior originates from an anisotropic ground doublet stabilized by spin-orbit coupling. Consistent theoretical and experiment data show that the resulting magnetization dynamics in this system is dominated by ground state quantum tunneling, while its temperature dependence is influenced by Raman relaxation.
Note: Versió postprint del document publicat a: https://doi.org/10.1039/c6sc01469k
It is part of: Chemical Science, 2016, vol. 7, num. 9, p. 6132-6140
URI: http://hdl.handle.net/2445/154600
Related resource: https://doi.org/10.1039/c6sc01469k
ISSN: 2041-6520
Appears in Collections:Articles publicats en revistes (Química Inorgànica i Orgànica)

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