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C-H center dot center dot center dot O/N hydrogen bonded complexes of FKrCCH are stronger than FCCH complexes: Effect of rare gas insertion

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Title C-H center dot center dot center dot O/N hydrogen bonded complexes of FKrCCH are stronger than FCCH complexes: Effect of rare gas insertion
 
Creator SINGH, PC
 
Subject CHARGE-TRANSFER MOLECULES
AB-INITIO
MATRIX-ISOLATION
INTERMOLECULAR COMPLEXES
SOLID MATRICES
KR
XE
CHEMISTRY
ARGON
COMPOUND
 
Description C-H center dot center dot center dot O/N hydrogen bonding ability of rare gas inserted molecules was explored by investigating complexes of FKrCCH with series of the colloquial acceptor molecules using high level of ab-initio calculations. Structure, energetics, shifts in the C-H stretching frequencies as well as topological study of electron density provided unequivocal evidence for the formation of C-H center dot center dot center dot O/N hydrogen bonded complexes. Further, the strength of the hydrogen bonding in complexes of rare gas inserted molecule FKrCCH is found to be enhanced than the parent molecule FCCH which can be attributed to the increased acidity of the CH proton due to insertion of the Kr atom. (C) 2011 Elsevier B.V. All rights reserved.
 
Publisher ELSEVIER SCIENCE BV
 
Date 2012-06-26T06:36:22Z
2012-06-26T06:36:22Z
2011
 
Type Article
 
Identifier CHEMICAL PHYSICS LETTERS,515(4-6)206-209
0009-2614
http://dx.doi.org/10.1016/j.cplett.2011.09.022
http://dspace.library.iitb.ac.in/jspui/handle/100/14053
 
Language English