Vibration-Rotation Bands of Phosphine-d1: Analysis of the ν3a and ν2 Bands

✍ Scribed by R.J. Kshirsagar; V.A. Job

• Publisher: Elsevier Science
• Year: 1993
• Tongue: English
• Weight: 892 KB
• Volume: 161
• Category: Article
• ISSN: 0022-2852
• DOI: 10.1006/jmsp.1993.1225

✦ Synopsis

The (\nu_{3 a}) (PD stetching mode) and (\nu_{2}) (inversion mode) bands of the (\mathrm{PH}{2} \mathrm{D}) molecule have been analyzed. The (\nu{3 a}) band is of type (A) while the (\nu_{2}) band is an (A / C)-hybrid band. It was found that the observed ground state combination differences could not be reproduced with the parameters reported in the literature (McRae et al., J. Mol. Spectrosc. 116, 58-70 (1986)). Improved ground state parameters have been obtained by a simultaneous least-squares fit of the microwave data and the ground state combination differences from the (v_{3 a}) and (\nu_{2}) bands. The parameters of the (\nu_{3 a}) and (\nu_{2}) states up to the sextic distortion terms have been determined by a least-squares fit of 505 and 842 lines with RMS deviations of (4.0 \times 10^{-4}) and (4.9 \times 10^{-4} \mathrm{~cm}^{-1}), respectively. (c) 1993 Academic Press, Inc.