Issue 16, 2004

Infrared absorption spectroscopy of the CnXe (n = 2, 3, 5, 7, 9) species

Abstract

CnXe (n = 2, 3, 5, 7, 9) compounds, generated by pulsed laser evaporation of a carbon pellet or by the electrical discharge of acetylene, have been deposited in an argon matrix at 12 K and studied by Fourier transform infrared absorption spectroscopy. Five new vibrational bands at 1774.2, 2033.3, 2161.4, 2126.6 and 1997.2 cm−1 have been observed. Using ab initio MP2 theoretical methods, the first two bands have been assigned to the fundamental stretching modes of C2Xe and C3Xe, respectively. These assignments are supported by 13C isotopic shift data. The C–Xe bond in C2Xe is predicted to be stronger than in C3Xe. Although bent C3Xe is a little more stable than linear C3Xe, both species have very flat potential surfaces and both may exist in Ar matrices. The latter three bands are tentatively assigned to C–C asymmetric stretches in C5Xe, C7Xe, and C9Xe, respectively. Despite the lack of isotopic data for these species, this assignment is reasonable based on the smooth frequency shift for the CnXe species compared to the Cn species.

Article information

Article type
Paper
Submitted
05 Apr 2004
Accepted
04 Jun 2004
First published
21 Jun 2004

Phys. Chem. Chem. Phys., 2004,6, 4090-4095

Infrared absorption spectroscopy of the CnXe (n = 2, 3, 5, 7, 9) species

H. Wang, J. Szczepanski and M. Vala, Phys. Chem. Chem. Phys., 2004, 6, 4090 DOI: 10.1039/B405040A

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