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
DSpace at IIT Bombay
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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
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Creator |
SINGH, PC
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Subject |
CHARGE-TRANSFER MOLECULES
AB-INITIO MATRIX-ISOLATION INTERMOLECULAR COMPLEXES SOLID MATRICES KR XE CHEMISTRY ARGON COMPOUND |
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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.
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Publisher |
ELSEVIER SCIENCE BV
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Date |
2012-06-26T06:36:22Z
2012-06-26T06:36:22Z 2011 |
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Type |
Article
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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 |
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Language |
English
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