High resolution infrared synchrotron study of CH2D81Br: ground state constants and analysis of the ν5, ν6 and ν9 fundamentals
Publication: Research - peer-review › Conference article – Annual report year: 2012
The high resolution infrared absorption spectrum of CH2D81Br has been recorded by Fourier transform spectroscopy in the range 550–1075 cm1, with an unapodized resolution of 0.0025 cm-1, employing a synchrotron radiation source. This spectral region is characterized by the ν6 (593.872 cm-1), ν5 (768.710 cm-1) and ν9 (930.295 cm-1) fundamental bands. The ground state constants up to sextic centrifugal distortion terms have been obtained for the first time by ground-state combination differences from the three bands and subsequently employed for the evaluation of the excited state parameters. Watson’s A-reduced Hamiltonian in the Ir representation has been used in the calculations. The ν6=1 level is essentially free from perturbation whereas the ν5=1 and ν9=1 states are mutually interacting through α-type Coriolis coupling. Accurate
spectroscopic parameters of the three excited vibrational states and a high-order coupling constant which takes into account the interaction between ν5 and ν9 have been determined.
| Original language | English |
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| Journal | Molecular Physics |
| Publication date | 2012 |
| Volume | 110 |
| Journal number | 17 (special issue) |
| Pages | 2063-2069 |
| ISSN | 0026-8976 |
| DOIs | |
| State | Published |
Conference
| Conference | 22nd Colloquium on high-resolution molecular spectroscopy HRMS |
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| Country | France |
| City | Dijon |
| Period | 29-08-11 → 02-09-11 |
| Citations | Web of Science® Times Cited: 0 |
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Keywords
- CH2DBr, FTIR spectroscopy, Rovibrational analysis, Molecular parameters, Coriolis interaction
ID: 12143401