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

Alexandra Domanskaya; Alexey V. Kobzarenko; Ehud Tsivion; Leonid Khriachtchev; Vladimir I. Feldman; R. Benny Gerber; Markku Räsänen

doi:10.1016/j.cplett.2009.09.072

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

Alexandra Domanskaya
, Alexey V. Kobzarenko
, Ehud Tsivion
, Leonid Khriachtchev
, Vladimir I. Feldman^*
, R. Benny Gerber
, Markku Räsänen

^*Corresponding author for this work

Research output: Contribution to journal › Article › peer-review

32 Scopus citations

Abstract

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.

Original language	English
Pages (from-to)	83-87
Number of pages	5
Journal	Chemical Physics Letters
Volume	481
Issue number	1-3
DOIs	https://doi.org/10.1016/j.cplett.2009.09.072
State	Published - 2009
Externally published	Yes

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10.1016/j.cplett.2009.09.072

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title = "Matrix-isolation and ab initio study of HXeCCH complexed with acetylene",

abstract = "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.",

author = "Alexandra Domanskaya and Kobzarenko, \{Alexey V.\} and Ehud Tsivion and Leonid Khriachtchev and Feldman, \{Vladimir I.\} and \{Benny Gerber\}, R. and Markku R{\"a}s{\"a}nen",

year = "2009",

doi = "10.1016/j.cplett.2009.09.072",

language = "אנגלית",

volume = "481",

pages = "83--87",

journal = "Chemical Physics Letters",

issn = "0009-2614",

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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.

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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 -

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

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