Rovibrational Parameters for trans-Nitrous Acid
β Scribed by J.M. Guilmot; M. Godefroid; M. Herman
- Book ID
- 102972887
- Publisher
- Elsevier Science
- Year
- 1993
- Tongue
- English
- Weight
- 633 KB
- Volume
- 160
- Category
- Article
- ISSN
- 0022-2852
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β¦ Synopsis
The Fourier transform absorption spectrum of HONO was recorded at high resolution between 600 and (12000 \mathrm{~cm}^{-1}) using various experimental conditions. The results concerning the trans isomer are presented; i.e., the full rovibrational analysis of the (\nu_{1}, \nu_{2}, \nu_{3}, \nu_{4}), and (2 \nu_{1}) bands and the vibrational analysis and band contour simulation of the (2 \nu_{2}, \nu_{1}+\nu_{4}, \nu_{1}+\nu_{3}, \nu_{1}+2 \nu_{3}), and (3 \nu_{1}) bands have been given. The results are combined with those of previous literature investigations to obtain a complete set of rovibrational parameters, including equilibrium rotational parameters, (A_{\mathrm{e}}=3.122 \mathrm{~cm}^{-1}, B_{\mathrm{e}}=0.4230 \mathrm{~cm}^{-1}), and (C_{\mathrm{e}}=0.3724 \mathrm{~cm}^{-1}). cc 1993 Academic Press. Inc.
π SIMILAR VOLUMES
The variations of the geometrical (bond lengths and angles), electronic (dipole moment magnitude and orientation) and chemical (acidity) data whi-h are experimentally observed when going from the cis to the frets isomer of nitrous acid are fully reproduced within the fmmework of semi-empiricnl CNDO/
An effective Hamiltonian has been used for a global treatment of rovibrational energy levels of a given isotopic species of \(\mathrm{N}_{2} \mathrm{O}\). This Hamiltonian has been written up to the fourth order in the Amat-Nielsen ordering scheme and contains all resonance interaction terms due to