Matrix-isolation and ab initio study of HXeCCH complexed with acetylene

Citation:

Domanskaya, A. ; Kobzarenko, A. V. ; Tsivion, E. ; Khriachtchev, L. ; Feldman, V. I. ; Gerber, B. R. ; Rasanen, M. Matrix-isolation and ab initio study of HXeCCH complexed with acetylene. CHEMICAL PHYSICS LETTERS 2009, 481, 83-87.

Date Published:

OCT 19

Abstract:

The HXeCCH center dot center dot center dot H(2)C(2) complex has been characterized by IR spectroscopy in a xenon matrix and ab initio calculations. This species exhibits a blue shift of the H-Xe stretching mode (19-28 cm(-1)) in comparison with the HXeCCH monomer, which indicates stabilization of the H-Xe bond upon complexation. The complex results from annealing-induced diffusion of acetylene molecules above 50 K to isolated HXeCCH formed at lower temperature. In addition, a weak absorption with a blue shift of +51 cm(-1) was tentatively assigned to the HXeCCH complex with two acetylene molecules. These experimental observations are supported by ab initio calculations. (C) 2009 Elsevier B.V. All rights reserved.