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

The HXeCCH ⋯ H 2C 2 complex has been characterized by matrix isolation IR spectroscopy in solid xenon and ab initio calculations. The HXeCCH ⋯ H 2C 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 stretch...

Full description

Saved in:
Bibliographic Details
Published in:Chemical physics letters 2009, Vol.481 (1), p.83-87
Main Authors: Domanskaya, Alexandra, Kobzarenko, Alexey V., Tsivion, Ehud, Khriachtchev, Leonid, Feldman, Vladimir I., Benny Gerber, R., Räsänen, Markku
Format: Article
Language:English
Citations: Items that this one cites
Items that cite this one
Online Access:Get full text
Tags: Add Tag
No Tags, Be the first to tag this record!
Description
Summary:The HXeCCH ⋯ H 2C 2 complex has been characterized by matrix isolation IR spectroscopy in solid xenon and ab initio calculations. The HXeCCH ⋯ H 2C 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.
ISSN:0009-2614
1873-4448
DOI:10.1016/j.cplett.2009.09.072