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Title: A low spin manganese(IV) nitride single molecule magnet
Author: Ding, Mei
Cutsail, George E. IIIiii
Aravena Ponce, Daniel Alejandro
Amoza Dávila, Martín
Rouzières, Mathieu
Dechambenoit, Pierre
Losovyj, Yaroslav
Pink, Maren
Ruiz Sabín, Eliseo
Clérac, Rodolphe
Smith, Jeremy M.
Keywords: Anisotropia
Teoria quàntica
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:
It is part of: Chemical Science, 2016, vol. 7, num. 9, p. 6132-6140
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ISSN: 2041-6520
Appears in Collections:Articles publicats en revistes (Química Inorgànica i Orgànica)

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