Formation and Characterization of the Indium Hydride Molecules H2InCl and HInCl2: Matrix Isolation and Quantum Chemical Studies

Indium monochloride, InCl, adds HCl or H 2 when isolated together with these molecules in an argon matrix at 12 K and photoactivated by broad-band UV−visible radiation. On the basis of the infrared spectra of the matrices (including the effects of 1 H/ 2 H and 35 Cl/ 37 Cl isotopic change) and of density functional theory (DFT) calculations, the products of the reactions were identified as the discrete indium hydride molecules HInCl 2 and H 2 InCl. HInCl 2 is also one of the products of the reactions brought about by photolysis of matrices containing In atoms and HCl; both HGaCl 2 and H 2 GaCl are formed from Ga atoms under similar conditions. All six vibrational fundamentals (3 a 1 + 1 b 1 + 2 b 2 ) of H 2 InCl and five of the six vibrational fundamentals of HInCl 2 have been identified; normal coordinate and DFT calculations provide a framework for evaluating the physical properties of the two molecules.