Electrostatics determine vibrational frequency shifts in hydrogen bonded complexes
| Title | Electrostatics determine vibrational frequency shifts in hydrogen bonded complexes |
| Publication Type | Journal Article |
| Year of Publication | 2014 |
| Authors | Dey, A, Mondal, SIslam, Sen, S, Ghosh, D, G. Patwari, N |
| Journal | Physical Chemistry Chemical Physics |
| Volume | 16 |
| Issue | 46 |
| Pagination | 25247-25250 |
| Date Published | OCT |
| ISSN | 1463-9076 |
| Abstract | The red-shifts in the acetylenic C-H stretching vibration of C-H center dot center dot center dot X (X = O, N) hydrogen-bonded complexes increase with an increase in the basicity of the Lewis base. Analysis of various components of stabilization energy suggests that the observed red-shifts are correlated with the electrostatic component of the stabilization energy, while the dispersion modulates the stabilization energy. |
| DOI | 10.1039/c4cp04617j |
| Type of Journal (Indian or Foreign) | Foreign |
| Impact Factor (IF) | 4.493 |
Divison category:
Physical and Materials Chemistry
