The inverse spectral problem for porphin is solved by the regularized least squares method. For determining 30 force constants related to in-plane molecular vibrations, 256 frequencies of porphin and its four deuteratcd derivatives are used. The form of the porphin molecule vibrations is discussed.
Analysis of Darling-Dennison Interactions and Related Phenomena in the SO2 Molecule for the Force Field Study
✍ Scribed by Y. Morino; M. Tanimoto
- Publisher
- Elsevier Science
- Year
- 1994
- Tongue
- English
- Weight
- 508 KB
- Volume
- 166
- Category
- Article
- ISSN
- 0022-2852
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✦ Synopsis
The famous Darling-Dennison resonance is fully discussed for the ({ }^{32} \mathrm{~S}^{16} \mathrm{O}{2}) molecule by use of the classical treatment as well as by the Van Vleck contact transformation method. The conclusion is that the single-term approximation as a resonance phenomenon, originally proposed for the (\mathrm{H}{2} \mathrm{O}) molecule by Darling and Dennison, cannot be applied to the (\mathrm{SO}{2}) molecule, because the two frequencies (\nu{1}) and (\nu_{3}) are separated by too far a distance in the latter molecule. The force field of the (\mathrm{SO}_{2}) molecule was calculated up to the quartic terms in order to confirm the above conclusions. (c) 1994 Academic Press. Inc.
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