title: Water complexes of styrene and 4-fluorostyrene: a combined electronic, vibrational spectroscopic and ab-initio investigation.
abstract: The binary complexes of water with styrene and fluorostyrene were investigated using LIF and FDIR spectroscopic techniques. The difference in the shifts of S 1 <-- S 0 electronic transitions clearly points out the disparity in the intermolecular structures of these two binary complexes. The FDIR spectra in the O-H stretching region indicate that water is a hydrogen bond donor in both complexes. The formation of a single O-H...pi hydrogen-bonded complex with styrene and an in-plane complex with fluorostyrene was inferred based on the analysis of the FDIR spectra in combination with ab initio calculations. The in-plane complex with fluorostyrene is characterized by the presence of O-H...F and C-H...O hydrogen bonds, leading to formation of a stable six-membered ring. The synergistic effect of O-H...F and C-H...O hydrogen bonds overwhelms the O-H...pi interaction in fluorostyrene-water complexes.
authors.affiliation: Department of Chemistry, Indian Institute of Technology Bombay, Powai, Mumbai 400076, India.
authors.forename: Prashant Chandra
authors.initials: PC
authors.lastname: Singh
authors.forename: Surajit
authors.initials: S
authors.lastname: Maity
authors.forename: G Naresh
authors.initials: GN
authors.lastname: Patwari