The vibrational inelastic neutron scattering spectrum of dodecahedrane: Experiment and DFT simulation

Bruce S. Hudson, Dale A. Braden, Stewart F. Parker, Horst Prinzbach

Research output: Contribution to journalArticle

23 Scopus citations

Abstract

Vibrational frequencies that are forbidden in Raman and IR absorption can be observed by inelastic neutron scattering. In the case of the I(h)symmetrical molecule dodecahedrane, the resulting spectrum agrees with a DFT calculation.

Original languageEnglish (US)
Pages (from-to)514-516
Number of pages3
JournalAngewandte Chemie - International Edition
Volume39
Issue number3
DOIs
StatePublished - Feb 4 2000

Keywords

  • Density functional calculations
  • Hydrocarbons
  • Neutron scattering
  • Vibrational spectroscopy

ASJC Scopus subject areas

  • Catalysis
  • Chemistry(all)

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