Journal
JOURNAL OF PHYSICAL CHEMISTRY A
Volume 116, Issue 1, Pages 290-296Publisher
AMER CHEMICAL SOC
DOI: 10.1021/jp209118p
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Funding
- Marsden Grant
- Danish Council for Independent Research-Natural Sciences
- Division of Sciences, University of Otago
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Vibrational spectra of vapor-phase dimethylamine (DMA) and pyrrole have been recorded in the 1000 to 13000 cm(-1) region using long path conventional spectroscopy techniques We have focused on the absolute intensities of the NH-stretching fundamental and overtone transitions; Delta nu(NH) = 1-4 regions for DMA and the Delta nu(NH) = 1-3 regions for pyrrole. In the Delta nu(NH) = 1-3 regions for DMA, evidence of tunneling splitting associated with the NH-wagging mode is observed. For DMA, the fundamental NH-stretching transition intensity is weaker than the first NH-stretching overtone. Also, the fundamental NH-stretching transition in DMA is much weaker than the fundamental transition in pyrrole. We have used an anharmonic oscillator local mode model with ab initio calculated local mode parameters and dipole moment functions at the CCSD(T)/aug-cc-pVTZ level to calculate the NH-stretching intensities and explain this intensity anomaly in DMA.
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