INFRARED-SPECTRA AND THEORETICAL CALCULATIONS OF HCL COMPLEXED WITH NO

The vibrational spectra of NO:HCl trapped in argon matrix have been re investigated. In the high frequency region, two stretching modes of N- O and H-Cl have been observed in agreement with a recent paper [Chem. Phys. 185 (1994) 365]. In the low frequency region, two bands (N-H str etch and out of plane bend) have been identified. From a theoretical s tudy, it has been shown that the four experimental frequencies of the complex are well reproduced only for a bent structure in which II-bond ing takes place between the nitrogen atom of NO and the hydrogen, atom of HCl. The calculated frequency shifts of the N-O and H-Cl stretchin g modes upon complexation agree well with the experimental values. (C) 1998 Elsevier Science B.V. All rights reserved.