The Spectrum, Structure and Singlet-Triplet Splitting in Methylene CH2

Bunker, Philip R.

doi:10.1007/978-94-009-5474-8_6

The Spectrum, Structure and Singlet-Triplet Splitting in Methylene CH₂

Philip R. Bunker²

Conference paper

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8 Citations

Abstract

This talk summarizes work done in the last three years, principally at the National Research Council in Ottawa, Canada and at the National Bureau of Standards in Boulder, U.S.A., on the midinfrared and far-infrared spectrum of the methylene radical. Using the technique of laser magnetic resonance spectroscopy much infrared spectroscopic data has been obtained for ¹²CH₂, ¹³CH₂ and CD₂. With the help of theoretical calculations using the nonrigid bender hamiltonian, the equilibrium structure and potential energy surface of the electronic ground state — the X̄³ B₁ state — has been determined. The separation in energy between the ground state and the low-lying ã¹ A₁ electronic state has also been obtained. Ab initio results have been of importance in guiding the experimental work.

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Authors and Affiliations

Herzberg Institute of Astrophysics, National Research Council of Canada, Ottawa, Ontario, Canada, K1A OR6
Philip R. Bunker

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Philip R. Bunker
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Editors and Affiliations

Quantum Theory Project, University of Florida, USA
Rodney J. Bartlett

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Bunker, P.R. (1985). The Spectrum, Structure and Singlet-Triplet Splitting in Methylene CH₂ . In: Bartlett, R.J. (eds) Comparison of Ab Initio Quantum Chemistry with Experiment for Small Molecules. Springer, Dordrecht. https://doi.org/10.1007/978-94-009-5474-8_6

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DOI: https://doi.org/10.1007/978-94-009-5474-8_6
Publisher Name: Springer, Dordrecht
Print ISBN: 978-94-010-8917-3
Online ISBN: 978-94-009-5474-8
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