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Updated: May 26, 2026

Raman and IR Spectroelectrochemical Methods as Tools to Analyze Conjugated Organic Compounds
Published on: October 12, 2018
Diferrocenyl oligothiophene wires: Raman and quantum chemical study of valence-trapped cations
Sandra Rodríguez González1, Juan Aragó, Pedro M Viruela
1Department of Physical Chemistry, University of Málaga, Campus de Teatinos s/n, 29071 Málaga, Spain.
Abstract:
A combination of Raman spectroscopy and density functional theory calculations is used to describe the structural and spectroscopic properties of the different isomeric cations of diferrocenyl quaterthiophenes. Isomerisation of the thienyl β-positions provides site selective oxidation, which gives rise to species that can interconvert by moving the charge over the bridge. The spectroscopic study allows us to describe a sequence of stationary trapped cationic, either ferrocenyl or thienyl, states which constitutes an energy cascade of accessible sites through which the charge transfer can proceed.
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