1. Infrared study on hydrogen chloride complexed with allene.
- Author
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Chevalier, Michele, Broquier, Michel, and Brenner, Valerie
- Subjects
- *
INFRARED spectra , *HYDROGEN chloride , *ALLENE , *MOLECULAR dynamics , *ACETYLENE , *POTENTIAL energy surfaces - Abstract
The first rotationally resolved observation of the infrared (IR) spectrum of the molecular complex C3H4–HCl in gas phase is reported. New IR spectra have been recorded at high resolution by means of a slit jet. Rotational constants and vibrational frequencies have been obtained from these spectra. These data are presented and compared with high level ab initio calculations (CCSD(T)/cc-pVTZ). The results obtained in this study are compared with those on acetylene and ethene-HCl complexes. We observe a broadening of the lines interpreted as a decrease of the lifetime of the excited vibrational state with the size of the partner of complexation and also a correlation between the vibrational shift of the H–Cl stretching mode and the proton affinity of the acceptor molecule. [ABSTRACT FROM AUTHOR]
- Published
- 2010
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