Long-range spin dependent delocalization promoted by the pseudo Jahn-Teller effect

Stein, Benjamin W.; Dickie, Diane A.; Nedungadi, Sachin; Brook, David R.; Shultz, David A.; Kirk, Martin L.

doi:10.1063/1.5128117

Long-range spin dependent delocalization promoted by the pseudo Jahn-Teller effect

Journal Article · Mon Nov 25 00:00:00 EST 2019 · Journal of Chemical Physics

DOI:https://doi.org/10.1063/1.5128117· OSTI ID:1830695

Stein, Benjamin W. ^[1]; ^[2]; Nedungadi, Sachin ^[3]; ^[3]; ^[4]; ^[5]

Univ. of New Mexico, Albuquerque, NM (United States); Los Alamos National Lab. (LANL), NM (United States); North Carolina State University
Univ. of New Mexico, Albuquerque, NM (United States); Univ. of Virginia, Charlottesville, VA (United States)
San Jose State Univ., CA (United States)
North Carolina State Univ., Raleigh, NC (United States)
Univ. of New Mexico, Albuquerque, NM (United States)

Strong spin-dependent delocalization (double exchange) was previously demonstrated for the complexes, NN-Bridge-SQ-Co^III(py)₂Cat-Bridge-NN (where NN = S = 1/2 nitronylnitroxide, Bridge = 1,4-phenylene and single bond, SQ = S = 1/2 orthobenzosemiquinone, Co^III = low-spin d⁶ cobalt 3+, and Cat = diamagnetic catecholate). The mixed-valent S = 1/2 SQ-Co^III-Cat triad results in ferromagnetic alignment of localized (pinned) NN spins which are ~22Å apart (Bridge = Ph). Herein, we report similar ferromagnetic coupling of localized verdazyl (Vdz) radical spins. Furthermore, the origin of the magnetic exchange results from a second order vibronic effect (pseudo Jahn-Teller effect) in [Vdz-diox-Ru(py)₂-diox-Vdz]⁰, which possesses a diamagnetic [diox-Ru-diox]⁰ triad by virtue of strong antiferromagnetic SQ-Ru^III exchange.

View Accepted Manuscript (DOE)

Research Organization:: North Carolina State Univ., Raleigh, NC (United States)

Sponsoring Organization:: National Science Foundation (NSF); USDOE; USDOE Office of Science (SC), Basic Energy Sciences (BES)

Grant/Contract Number:: SC0020199

OSTI ID:: 1830695

Alternate ID(s):: OSTI ID: 1575789

Journal Information:: Journal of Chemical Physics, Journal Name: Journal of Chemical Physics Journal Issue: 20 Vol. 151; ISSN 0021-9606

Publisher:: American Institute of Physics (AIP)Copyright Statement

Country of Publication:: United States

Language:: English

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Long-range spin dependent delocalization promoted by the pseudo Jahn-Teller effect

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