Infrared spectra and theoretical calculations of HCl complexed with NO Original Research Article

The vibrational spectra of NO:HCl trapped in argon matrix have been reinvestigated. 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 stretch and out of plane bend) have been identified. From a theoretical study, it has been shown that the four experimental frequencies of the complex are well reproduced only for a bent structure in which H-bonding 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 stretching modes upon complexation agree well with the experimental values.