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Electrostatics determine vibrational frequency shifts in hydrogen bonded complexes

DSpace at IIT Bombay

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Title Electrostatics determine vibrational frequency shifts in hydrogen bonded complexes
 
Creator DEY, A
MONDAL, SI
SEN, S
GHOSH, D
PATWARI, GN
 
Subject OH STRETCHING VIBRATIONS
PERTURBATION-THEORY
DOUBLE-RESONANCE
RED-SHIFT
NO-SHIFT
SPECTROSCOPY
CHLOROFORM
MOLECULES
ENERGY
LENGTH
 
Description 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.
 
Publisher ROYAL SOC CHEMISTRY
 
Date 2014-12-28T12:07:32Z
2014-12-28T12:07:32Z
2014
 
Type Article
 
Identifier PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 16(46)25247-25250
1463-9076
1463-9084
http://dx.doi.org/10.1039/c4cp04617j
http://dspace.library.iitb.ac.in/jspui/handle/100/16442
 
Language English