In:
European Journal of Inorganic Chemistry, Wiley, Vol. 2021, No. 39 ( 2021-10-21), p. 4113-4121
Abstract:
Density functional theory calculations (UTPSSh/6‐311++G(d,p)) of electronic structure, energy characteristics and magnetic properties of a series of heterometallic CrCo complexes comprising redox‐active bis(dioxolene) bridging ligands (3,3,3’,3’‐tetramethyl‐5,6,5’,6’‐tetrahydroxy‐1,1’‐spiro‐bis(indan) and 2,3,6,7‐tetrahydroxy‐9,10‐dimethyl‐9,10‐dihydro‐9,10‐ethanoanthracene) and ancillary tetradentate nitrogen‐containing bases (tris(2‐pyridylmethyl)amine and N,N′‐dialkyl‐2,11‐diaza[3.3]‐(2,6)pyridinophane derivatives) were performed. The compounds prone to manifest spin‐state switching rearrangements involving cobalt centre have been revealed. Analysis of the results obtained and their comparison with those found previously open wide prospects for the purposeful search for a broad variety of new magnetically bistable heterometallic dinuclear paramagnetic species with a prospect of useful application in the design of smart dynamic materials.
Type of Medium:
Online Resource
ISSN:
1434-1948
,
1099-0682
DOI:
10.1002/ejic.v2021.39
DOI:
10.1002/ejic.202100702
Language:
English
Publisher:
Wiley
Publication Date:
2021
detail.hit.zdb_id:
1475009-0
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