Electrostatics determine vibrational frequency shifts in hydrogen bonded complexes

TitleElectrostatics determine vibrational frequency shifts in hydrogen bonded complexes
Publication TypeJournal Article
Year of Publication2014
AuthorsDey, A, Mondal, SIslam, Sen, S, Ghosh, D, G. Patwari, N
JournalPhysical Chemistry Chemical Physics
Volume16
Issue46
Pagination25247-25250
Date PublishedOCT
ISSN1463-9076
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.

DOI10.1039/c4cp04617j
Type of Journal (Indian or Foreign)

Foreign

Impact Factor (IF)4.493
Divison category: 
Physical and Materials Chemistry