Experimentally re-examined ferrocene dynamics reveal significant conformational characteristics, suggesting important implications for molecular studies.
• 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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Wang et al. (2026) studied this question.
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