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