On the mechanism of the broadening of the proton vibrational IR band in weak hydrogen bonds. Double adiabatic approximation
β Scribed by N.D. Sokolov
- Publisher
- Elsevier Science
- Year
- 1984
- Tongue
- English
- Weight
- 524 KB
- Volume
- 29
- Category
- Article
- ISSN
- 0167-7322
No coin nor oath required. For personal study only.
π SIMILAR VOLUMES
The effect of solvent on the vs frequency of the IR absorption band for hydrogen chloride and hydrogen bonded hydrogen chloride was studied. Applying the Bakhshiev method of studing the Van der Waals interaction effect on molecular absorption spectra, the theoretical values of vsHCl were computed f
## Abstract The optimized geometry of isolated trimethylamine (TMA), its hydrogen bond complexes with phenol derivatives and protonated TMA is calculated at the B3LYP/6β31++G(d,p) level. A natural bond orbital (NBO) analysis on these systems is carried out at the same level of theory. In isolated T