Observation of CHF2Cl trimer in Xe matrix and calculations of stable isomers by density functional theory

Infrared spectra of CHF2Cl trimer have been assigned in Xe matrix. Twenty-six structural isomers have been obtained by DFT calculations at the B971/6-311++G(3df,3pd) level, and synthetic spectra based on these calculations showed reasonable agreement with the observed spectral pattern.