The flexibility of the cyclotrisiloxane ring as discussed in a strongly anharmonic vibrational model

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Abstract

The puckering vibration of the cyclotrisiloxane ring is investigated in a strongly anharmonic potential, containing quadratic and quartic parts and an infinite barrier at selected maximum allowed amplitudes. From the two different assignments given recently for the A2'' puckering mode, 46 cm-1 and 391 cm-1, respectively, the results definitely favour the former value, thus showing an unusually great flexibility of the ring. The resulting average structure is also in accord with the electron diffraction study.

Original languageEnglish
Pages (from-to)139-147
Number of pages9
JournalJournal of Molecular Structure
Volume41
Issue number1
DOIs
Publication statusPublished - Oct 1977

ASJC Scopus subject areas

  • Analytical Chemistry
  • Spectroscopy
  • Organic Chemistry
  • Inorganic Chemistry

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