Conformational analysis and electronic structure of monothiodiacetamide: Normal coordinate analysis and molecular orbital study
β Scribed by D. N. Sathyanarayana; K. Geetharani
- Publisher
- Springer Vienna
- Year
- 1980
- Tongue
- English
- Weight
- 365 KB
- Volume
- 111
- Category
- Article
- ISSN
- 0026-9247
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The polarized Raman spectra of ammonium dihydrogenphosphate (ADP) were observed at room temperature. The observed spectra are explained basically in terms of symmetry, since the observed spectra di β er substantially D 2d from those expected for lower symmetry, especially as regards Raman intensity.
The conformational characteristics of allylamine were investigated by the ab initio STO-~G basis set. The results indicate that the molecule exists in a number of stable conformations through rotations about the CC-NH and CC-CN bonds. The TE ( &u~-CCNLP, LP representing lone-pair electrons, and ecli