What question did this study set out to answer?

To evaluate ferrocene as a benchmark conformational system and explore its electronic dynamics.

May 28, 2026Coordination Chemistry Reviews1 citationsOpen Access

Ferrocene at 75: lessons from fifteen years of experiment–theory convergence

FWFeng WangSwinburne University of Technology CCChristopher T. ChantlerThe University of Melbourne

Key Points

To evaluate ferrocene as a benchmark conformational system and explore its electronic dynamics.
Re-examination of ferrocene using infrared (IR) spectroscopy and synchrotron FTIR techniques.
Analysis of X-ray data to confirm structural properties.
Investigation of temperature- and environment-dependent dynamics.
IR band splitting observed near 450 cm−1 indicates eclipsed (D5h) ferrocene.
Fe-centred origin confirmed through synchrotron FTIR and X-ray analysis.
Collective Fe-centred electronic effects contribute to observed IR band splitting.

Abstract

• Ferrocene is re-examined as a benchmark conformational system. • IR band splitting near 450 cm −1 identifies eclipsed (D 5h ) ferrocene. • Synchrotron FTIR and X-ray data confirm a Fe-centred origin. • The IR band splitting arises from collective Fe-centred electronic effects. • Ferrocene exhibits temperature- and environment-dependent dynamics.

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