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Water complexes of styrene and 4-fluorostyrene: A combined electronic, vibrational spectroscopic and ab-initio investigation

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Title Water complexes of styrene and 4-fluorostyrene: A combined electronic, vibrational spectroscopic and ab-initio investigation
 
Creator SINGH, PC
MAITY, S
PATWARI, GN
 
Subject double-resonance spectroscopy
fluorescence spectroscopy
clusters
benzene
absorption
spectrum
systems
state
 
Description 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 center dot center dot center dot 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 center dot center dot center dot F and C-H center dot center dot center dot O hydrogen bonds, leading to formation of a stable six-membered ring. The synergistic effect of O-H center dot center dot center dot F and C-H center dot center dot center dot O hydrogen bonds overwhelms the O-H center dot center dot center dot pi interaction in fluorostyrene-water complexes.
 
Publisher AMER CHEMICAL SOC
 
Date 2011-07-15T04:48:56Z
2011-12-26T12:49:15Z
2011-12-27T05:35:04Z
2011-07-15T04:48:56Z
2011-12-26T12:49:15Z
2011-12-27T05:35:04Z
2008
 
Type Article
 
Identifier JOURNAL OF PHYSICAL CHEMISTRY A, 112(40), 9702-9707
1089-5639
http://dx.doi.org/10.1021/jp801856r
http://dspace.library.iitb.ac.in/xmlui/handle/10054/4157
http://hdl.handle.net/10054/4157
 
Language en