Author/Authors :
Rutkowski، نويسنده , , K.S. and Melikova، نويسنده , , S. and Shchepkin، نويسنده , , D.N. and Lipkowski، نويسنده , , P. and Koll، نويسنده , , A.، نويسنده ,
Abstract :
Infrared spectra of HCl-doped CO solutions have been studied at T∼140–90 K. First overtone and combination bands of the OC⋯HCl complex were revealed at the lowest temperature of the liquid solution. Ab initio calculations utilizing the 6-311++G(3df,3pd) basis set with electron correlation at the nth-order Møller–Plesset (MPn, n⩽4) levels of approximation predict minima for the CO⋯HCl and OC⋯HCl linear structures. Based on simplified treatment of anharmonic interactions between CO and HCl constituents, the model estimations of the dipole transition moments have been performed.
