Intramolecular and intermolecular dynamics in the two crystal phases of ferrocene carboxaldehyde

Mervyn F. Daniel, Alan J. Leadbetter*, Robert M. Richardson

*Corresponding author for this work

Research output: Contribution to journalArticle (Academic Journal)peer-review

8 Citations (Scopus)

Abstract

Incoherent quasi-elastic and inelastic neutron scattering experiments have been performed on crystalline ferrocene carboxaldehyde in both its ordered (T < 317 K) and disordered (317 < T/K < 396) phases. The unsubstituted ring is found to be undergoing five-fold jump reorientations between indistinguishable positions at all temperatures within range of the experimental resolution (T > 170 K), with an energy barrier of 17 ± 4 kJ mol-1. The molecular motions in the disordered phase are found to be complex and involve internal rotation plus whole-molecule rotational and translational components, consistent with structural work. They are associated with time-scales in the range 10-10 -10-12 s and a range of energy barriers up to 20 kJ mol-1.

Original languageEnglish
Pages (from-to)1851-1863
Number of pages13
JournalJournal of the Chemical Society, Faraday Transactions 2: Molecular and Chemical Physics
Volume77
Issue number10
DOIs
Publication statusPublished - 1 Dec 1981

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