| Autor: |
Chang HC; Department of Chemistry, National Dong Hwa University, Shoufeng, Hualien 974, Taiwan. hcchang@mail.ndhu.edu.tw, Jiang JC, Lai WW, Lin JS, Chen GC, Tsai WC, Lin SH |
| Jazyk: |
angličtina |
| Zdroj: |
The journal of physical chemistry. B [J Phys Chem B] 2005 Dec 08; Vol. 109 (48), pp. 23103-7. |
| DOI: |
10.1021/jp0536652 |
| Abstrakt: |
Close interactions of the charge-enhanced C-H...O type have been analyzed both experimentally and computationally in the protonated thiazole-water system. The formation of a weak hydrogen bond was directly evidenced by a low-frequency shift of the hydrogen-bonded aromatic C-H stretch in the protonated thiazole moiety. For pure thiazole, the pressure dependence of the C-H bands yielded blue frequency shifts. The peak frequency of the aromatic C-H stretch band of protonated thiazole in a dilute D2O solution possesses an unusual nonmonotonic pressure dependence, which indicates enhanced C-H...O hydrogen-bond formation at high pressure. We performed density functional theory calculations to predict the frequency shift of the C-H stretching vibrations. The reorganization of the hydrogen-bonded network may be one of the factors to induce the blue frequency shift to the red frequency shift. |
| Databáze: |
MEDLINE |
| Externí odkaz: |
|
