Water complexes of styrene and 4-fluorostyrene: A combined electronic, vibrational spectroscopic and ab-initio investigation
DSpace at IIT Bombay
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Title |
Water complexes of styrene and 4-fluorostyrene: A combined electronic, vibrational spectroscopic and ab-initio investigation
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Creator |
SINGH, PC
MAITY, S PATWARI, GN |
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Subject |
double-resonance spectroscopy
fluorescence spectroscopy clusters benzene absorption spectrum systems state |
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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.
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Publisher |
AMER CHEMICAL SOC
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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 |
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Type |
Article
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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 |
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Language |
en
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