Normal Vibrational Mode Analysis and Assignment of Benzimidazole by ab Initio and Density Functional Calculations and Polarized Infrared and Raman Spectroscopy
β Scribed by Morsy, M. A.; Al-Khaldi, M. A.; Suwaiyan, A.
- Book ID
- 120760903
- Publisher
- American Chemical Society
- Year
- 2002
- Tongue
- English
- Weight
- 288 KB
- Volume
- 106
- Category
- Article
- ISSN
- 1089-5639
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π SIMILAR VOLUMES
The infrared and Raman vibrational spectra of 1,1,2,2-tetrachlorodisilane and its (Cl -isotopomer were measured and assigned with the aid of normal coordinate analyses and also ab initio RHF Cl 2 DSiSiDCl 2 geometry optimizations and harmonic wavenumber calculations using the GAMESS quantum chemist
The infrared (3100-40 cm K1 ) spectra of gaseous and solid and Raman (3200-20 cm K1 ) spectra of liquid 2-chloroethylsilyl chloride, ClCH 2 CH 2 SiH 2 Cl, have been recorded. There are five possible stable conformers, Gg, Tg, Gt, Tt and Gg 0 for this molecule where the capital letter G (gauche) or T