ISSN:
1089-7690
Source:
AIP Digital Archive
Topics:
Physics
,
Chemistry and Pharmacology
Notes:
The molecular complex in a 1:1 ratio of nitrosyl chloride ClNO with hydrogen chloride has been characterized in argon matrices by infrared spectroscopy. Ab initio calculations using the self-consistent-field Hartree–Fock, the second order Møller–Plesset, and the Becke–Lee–Yang–Paar density functional (DFT methods) were undertaken on all possible structures. Only one stable structure was found. It showed simultaneously interaction of the Cl, N, and O atoms of ClNO with the H atom of HCl. The complexation induces a mean variation of about −0.005 A(ring) of the NO bond and about +0.005 A(ring) of the ClN bond. The HCl bond length is calculated to lengthen by about +0.008 A(ring). © 1995 American Institute of Physics.
Type of Medium:
Electronic Resource
URL:
http://dx.doi.org/10.1063/1.470370
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