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The analysis of conformational equilibria by variable temperature photoelectron spectroscopy: A comment

✍ Scribed by Evi Honegger; Edgar Heilbronner

Publisher: Elsevier Science
Year: 1981
Tongue: English
Weight: 317 KB
Volume: 81
Category: Article
ISSN: 0009-2614
DOI: 10.1016/0009-2614(81)80476-9

No coin nor oath required. For personal study only.

✦ Synopsis

A numerical experiment which simulates the temperature dependence of the PE spectrum of thioanisole, i.e. a molecule with restricted internal rotation, shows that an analysis in terms of an assumed equilibrium between two "frozen" conformers can lead to substantial systematic errors in their energy difference.

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