High-Resolution Infrared Study of the ν4, ν5, and ν6Bands oftrans-Dideutero-di-imide, DNND

✍ Scribed by F. Hegelund; H. Bürger; O. Polanz

• Publisher: Elsevier Science
• Year: 1996
• Tongue: English
• Weight: 204 KB
• Volume: 179
• Category: Article
• ISSN: 0022-2852
• DOI: 10.1006/jmsp.1996.0192

✦ Synopsis

The gas-phase IR spectra of the a,b-Coriolis interacting band system n 4 ,n 6 around 950 cm 01 and the n 5 band around 2300 cm 01 of N 2 D 2 have been recorded with a resolution of ca. 0.005 and 0.007 cm 01 , respectively. In the n 5 and n 6 bands both a-and b-type components are observed. In n 4 the c-and a parallel-type component which obtains its intensity from the strong a-Coriolis resonance with n 6 are observed. In addition, DK a Å {2 band components which are due to strong b-Coriolis perturbation are observed in both n 4 and n 6 . From a simultaneous ground state combination difference analysis of all three bands the following ground state constants are obtained: A 0 Å 6.0245856( 22) cm 01 , B 0 Å 1.08957754(33) cm 01 , and C 0 Å 0.91955624(33) cm 01 . The upper state energies from the n 4 , n 6 band system have been analyzed using a dyad model including first and higher order a-and b-Coriolis interactions between these levels. In the analysis of the n 5 band weak higher order c-type and vibrational type DK a Å {2 interactions with the unobserved combination band n 3 / n 6 are taken into account. Upper state spectroscopic constants for all three levels and a number of interaction constants have been determined from these analyses.