2026-04-14T04:55:16Zhttps://recercat.cat/oai/request

oai:recercat.cat:2445/1546002025-11-19T20:55:53Zcom_2072_1057col_2072_478917col_2072_478933

A low spin manganese(IV) nitride single molecule magnet 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. Anisotropia Imants Teoria quàntica Anisotropy Magnets Quantum theory 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. 2020-04-01T08:34:59Z 2020-04-01T08:34:59Z 2016-01-01 2020-04-01T08:35:00Z info:eu-repo/semantics/article info:eu-repo/semantics/acceptedVersion 2041-6520 https://hdl.handle.net/2445/154600 666999 27746891 eng Versió postprint del document publicat a: https://doi.org/10.1039/c6sc01469k Chemical Science, 2016, vol. 7, num. 9, p. 6132-6140 https://doi.org/10.1039/c6sc01469k (c) Ding, Mei et al., 2016 info:eu-repo/semantics/openAccess 9 p. application/pdf application/pdf Royal Society of Chemistry Articles publicats en revistes (Química Inorgànica i Orgànica)