ν1 and ν1+ν5 of DCCN: Determination of the ν5 energy and the quasilinearity of DCCN

Autor:	R. F. Curl, Graham B. I. Scott, Fuge Sun, Vladislav A. Litosh, Anatoliy A. Kosterev
Rok vydání:	1998
Předmět:	Vibrational energy Chemistry Infrared Analytical chemistry Ab initio General Physics and Astronomy Linearity Infrared spectroscopy Fine structure Physical and Theoretical Chemistry Kinetic spectroscopy Molecular physics Energy (signal processing)
Zdroj:	The Journal of Chemical Physics. 109:8851-8856
ISSN:	1089-7690 0021-9606
Popis:	The high resolution infrared spectrum of DCCN in the region of 2385–2530 cm−1 has been investigated using infrared kinetic spectroscopy. The CD stretching fundamental, ν1,together with the closely related hot bands, ν1+ν5−ν5,ν1+2ν5±2−2ν5±2, and ν1+2ν50−2ν50 have been observed and assigned. In addition the combination band, ν1+ν5, was observed. When the information provided by this perpendicular band is combined with that provided by ν1+ν5−ν5, the vibrational energy of ν5 is accurately determined to be 74.845(2) cm−1. This measurement, when combined with the ab initio and semirigid bender calculations of Malmquist et al., gives a barrier to linearity of 280 cm−1. Generally, fine structure splittings are not resolved for any levels except those belonging to the upper l- or K-type doubling components of ν1+ν5. This fine structure splitting is most strongly exhibited in the Q-branch of the ν1+ν5 band where it is 0.039 cm−1.
Databáze:	OpenAIRE
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