Interaction of CHX(3) (X = F, Cl, Br) with HNO induces remarkable blue shifts of both C-H and N-H bonds

The hydrogen-bonded complexes formed from interaction of trihalomethanes CHX(3) (X = F, Cl, Br) with nitrosyl hydride HNO were studied using ab initio MO calculations at the second-order perturbation theory (MP2/6-311++G(d,p)). Each interaction contains at least five separate equilibrium structures....

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Bibliographic Details

Published in:	Physical chemistry chemical physics : PCCP Vol. 11; no. 6; p. 926
Main Authors:	Trung, Nguyen Tien, Hue, Tran Thanh, Nguyen, Minh Tho
Format:	Journal Article
Language:	English
Published:	England 14-02-2009
Subjects:	Carbon - chemistry Electrons Hydrogen - chemistry Hydrogen Bonding Infrared Rays Nitrogen - chemistry Nitrogen Oxides - chemistry Quantum Theory Trihalomethanes - chemistry Vibration
Online Access:	Get more information
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