TY - JOUR
T1 - Matrix-isolation and ab initio study of HXeCCH complexed with acetylene
AU - Domanskaya, Alexandra
AU - Kobzarenko, Alexey V.
AU - Tsivion, Ehud
AU - Khriachtchev, Leonid
AU - Feldman, Vladimir I.
AU - Benny Gerber, R.
AU - Räsänen, Markku
PY - 2009
Y1 - 2009
N2 - The HXeCCH⋯H2C2 complex has been characterized by IR spectroscopy in a xenon matrix and ab initio calculations. This species exhibits a blue shift of the H{single bond}Xe stretching mode (19-28 cm-1) in comparison with the HXeCCH monomer, which indicates stabilization of the H{single bond}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.
AB - The HXeCCH⋯H2C2 complex has been characterized by IR spectroscopy in a xenon matrix and ab initio calculations. This species exhibits a blue shift of the H{single bond}Xe stretching mode (19-28 cm-1) in comparison with the HXeCCH monomer, which indicates stabilization of the H{single bond}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.
UR - http://www.scopus.com/inward/record.url?scp=72049086918&partnerID=8YFLogxK
U2 - 10.1016/j.cplett.2009.09.072
DO - 10.1016/j.cplett.2009.09.072
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AN - SCOPUS:72049086918
SN - 0009-2614
VL - 481
SP - 83
EP - 87
JO - Chemical Physics Letters
JF - Chemical Physics Letters
IS - 1-3
ER -