Exchange repulsion increases internal rotation floppiness

V. Pophristic, L. Goodman

Research output: Contribution to journalArticlepeer-review

11 Scopus citations

Abstract

The influence of antisymmetrization on the shape of internal rotation potential surfaces was investigated using potential curves with or without antisymmetrization. It is found that, at room temperature the population of excited torsional levels increase due to the reduction in torsional energy level spacing. The results show that exchange interaction for ethane, disilane and methanol increases the torsional amplitude and level splittings.

Original languageEnglish (US)
Pages (from-to)5132-5136
Number of pages5
JournalJournal of Chemical Physics
Volume115
Issue number11
DOIs
StatePublished - Sep 15 2001
Externally publishedYes

All Science Journal Classification (ASJC) codes

  • General Physics and Astronomy
  • Physical and Theoretical Chemistry

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