The structure and molecular properties of the acetylene-HCN complex as determined from the rotational spectra

P. D. Aldrich, S. G. Kukolich, E. J. Campbell

Research output: Contribution to journalArticle

55 Scopus citations

Abstract

The microwave spectra for four isotopic species of a complex formed between acetylene and HCN have been obtained using the pulsed, Fourier-transform method with gas pulsed into an evacuated Fabry-Perot cavity. The spectra indicate the complex to be a T-shaped near-prolate asymmetric rotor (κ=-0.993) in its ground vibrational state in which HCN lies on the C2 symmetry axis with the hydrogen atom of HCN pointing to the middle of the triple bond of acetylene. The carbon atom of HCN is situated 3.656 Å from the acetylene center of mass. Nuclear quadrupole coupling constants for N are obtained for all four isotopes and deuterium quadrupole coupling constants are obtained for two isotopes. Various contributions to the electric field gradients at quadrupolar nuclei are discussed.

Original languageEnglish (US)
Pages (from-to)3521-3530
Number of pages10
JournalThe Journal of Chemical Physics
Volume78
Issue number6
DOIs
StatePublished - Jan 1 1983
Externally publishedYes

ASJC Scopus subject areas

  • Physics and Astronomy(all)
  • Physical and Theoretical Chemistry

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