The high resolution infrared absorption spectrum of CH 2D 81Br has been recorded by Fourier transform spectroscopy in the range 550-1075 cm -1, with an unapodized resolution of 0.0025 cm -1, employing a synchrotron radiation source. This spectral region is characterized by the v 6 (593.872 cm -1), v 5 (768.710 cm -1) and v 9 (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 v 6=1 level is essentially free from perturbation whereas the v 5=1 and v 9=1 states are mutually interacting through a-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 v 5 and v 9 have been determined. © 2012 Taylor & Francis.
High resolution infrared synchrotron study of CH2D81Br: ground state constants and analysis of the v5, v6 and v9 fundamentals
BALDACCI, Agostino;STOPPA, Paolo;VISINONI, Raffaella;
2012-01-01
Abstract
The high resolution infrared absorption spectrum of CH 2D 81Br has been recorded by Fourier transform spectroscopy in the range 550-1075 cm -1, with an unapodized resolution of 0.0025 cm -1, employing a synchrotron radiation source. This spectral region is characterized by the v 6 (593.872 cm -1), v 5 (768.710 cm -1) and v 9 (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 v 6=1 level is essentially free from perturbation whereas the v 5=1 and v 9=1 states are mutually interacting through a-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 v 5 and v 9 have been determined. © 2012 Taylor & Francis.File | Dimensione | Formato | |
---|---|---|---|
MP_2012_110_2063.pdf
non disponibili
Tipologia:
Documento in Post-print
Licenza:
Accesso chiuso-personale
Dimensione
510.78 kB
Formato
Adobe PDF
|
510.78 kB | Adobe PDF | Visualizza/Apri |
I documenti in ARCA sono protetti da copyright e tutti i diritti sono riservati, salvo diversa indicazione.