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Infrared-Optical Double Resonance Spectroscopic Investigation of Trifluoromethylphenols and Their Water Complexes

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Title Infrared-Optical Double Resonance Spectroscopic Investigation of Trifluoromethylphenols and Their Water Complexes
 
Creator DEY, A
PATWARI, GN
 
Subject SUPERSONIC JET SPECTROSCOPY
UV DOUBLE-RESONANCE
ROTATIONAL ISOMERS
MOLECULAR CLUSTERS
HYDROGEN-BONDS
CRESOL CATION
SPECTRA
2-TRIFLUOROMETHYLPHENOL
 
Description The hydrogen bonding behavior of trifluoromethylphenols and their water complexes were investigated using IR-UV double resonance spectroscopy. Both ortho- and meta-trifluoromethylphenols exist in the syn conformer, which is the global minimum in both the cases. The IR spectrum in the O-H stretching region reveals the absence of an intramolecular O-H center dot center dot center dot F hydrogen bond in the syn-o-trifluoromethylphenol, which is in contrast to the results reported in the literature. The water complexes of both o-trifluoromethylphenol and m-trifluoromethylphenol are characterized by formation of O-H center dot center dot center dot O hydrogen bonds between the donor phenolic OH group and the acceptor water molecule. In addition, the o-trifluoromethylphenol-(water)(2) complex was also observed.
 
Publisher AMER CHEMICAL SOC
 
Date 2014-10-16T14:36:15Z
2014-10-16T14:36:15Z
2012
 
Type Article
 
Identifier JOURNAL OF PHYSICAL CHEMISTRY A, 116(26)6996-7003
http://dx.doi.org/10.1021/jp301208z
http://dspace.library.iitb.ac.in/jspui/handle/100/15800
 
Language en