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Title: EPR Spectroscopic Characterization of a Jahn‐Teller Distorted ( C 3v → Cs ) Four‐Coordinate Chromium(V) Oxo Species
Abstract

Metal‐oxo coordination compounds have garnered significant interest over the years. The reactivity of the metal‐oxo bond is governed by the geometry, charge, spin state, and identity of the other ligands. In this report, we characterize a distortedC3v‐symmetric CrV‐oxo complex that has unique magnetic properties, compared with all other known chromyl species. Continuous wave and pulse electron paramagnetic resonance were used to measure the molecularg‐values and53Cr and17O hyperfine interactions. Analysis of density functional theory results and thegand hyperfine tensors, in the context of a crystallographically observed Jahn‐Teller distortion, suggests an electronic structure that results from the mixing of two sets of doubly degenerate orbital states. This mixing is only made possible by the approximate three‐fold symmetry of the ligand set.

 
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NSF-PAR ID:
10238994
Author(s) / Creator(s):
 ;  ;  ;  ;  
Publisher / Repository:
Wiley Blackwell (John Wiley & Sons)
Date Published:
Journal Name:
Israel Journal of Chemistry
Volume:
56
Issue:
9-10
ISSN:
0021-2148
Page Range / eLocation ID:
p. 864-871
Format(s):
Medium: X
Sponsoring Org:
National Science Foundation
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