title: Electrostatics determine vibrational frequency shifts in hydrogen bonded complexes.
abstract: The red-shifts in the acetylenic C-H stretching vibration of C-H∙∙∙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.
authors.affiliation: Department of Chemistry, Indian Institute of Technology Bombay, Powai, Mumbai 400076, India. naresh@chem.iitb.ac.in.
authors.forename: Arghya
authors.initials: A
authors.lastname: Dey
authors.forename: Sohidul Islam
authors.initials: SI
authors.lastname: Mondal
authors.forename: Saumik
authors.initials: S
authors.lastname: Sen
authors.forename: Debashree
authors.initials: D
authors.lastname: Ghosh
authors.forename: G Naresh
authors.initials: GN
authors.lastname: Patwari
mesh_terms: D000114:Acetylene / Q000737:chemistry*; D006860:Hydrogen Bonding; D013055:Spectrophotometry, Infrared; D055672:Static Electricity; D014732:Vibration
chemical_list: D000114:Acetylene