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Effect of structural modifications on electron delocalization of mixed-valence biferrocenium systems

Authors
Journal
Chemical Physics Letters
0009-2614
Publisher
Elsevier
Publication Date
Volume
175
Issue
3
Identifiers
DOI: 10.1016/0009-2614(90)85537-m

Abstract

Abstract Deviations of the cyclopentadienyl ring from the parallel positions were found to correlate quite well with the critical temperatures of delocalization—localization transition for mixed-valence bifferocenium cation salts on Mössbauer time scale. The observations can be rationalized by examining the variations of HOMOLUMO gap of the CpFeCp monomer unit as the angle of ∠ CpFeCp changes induced via ligand substitutions on the terminal Cp rings.

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