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The Matrix Isolation Spectrum of the CH₂⁺ Ion

From National Research Council Canada

DOIResolve DOI: https://doi.org/10.1006/jmsp.2002.8636
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Affiliation
  1. National Research Council of Canada. NRC Steacie Institute for Molecular Sciences
FormatText, Article
Abstract
For CH₂⁺ molecular ions at 5 K we simulate the infrared absorption spectrum, and tabulate all strong absorption lines from 0 to 16 000 cm⁻¹. We use ab initio potential energy, dipole moment, and transition moment surfaces in conjunction with our program system RENNER, which allows for the Renner-Teller effect and spin-orbit coupling in a full-dimensions calculation. This is done for the purpose of guiding our search for the matrix isolation spectrum; our attempts at finding this spectrum are also described.
Publication date
In
  • Journal of Molecular Spectroscopy 216, no. 2 (17 December 2002): 419–423.
LanguageEnglish
NPARC number12330740
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Record identifier80358adb-28e9-4000-9667-cf4cb49a1f1e
Record created2009-09-10
Record modified2020-03-30
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