THE ELECTRONIC STATES OF LINEAR METHYLENE

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Abstract
The electronic energy levels of the linear methylene radical, with r(C—H) = 1.0295 Å, have been calculated by the LCAO/MO/CI procedure. The state of lowest energy has 3∑g− symmetry, and is accompanied by low-lying 1Δg and 1∑g+ states. Allowed intravalence shell transitions from the ground state (3Πu−3∑g−,−3∑u−−3∑g−) are too high in energy to account for the observed transition at 8.6 ev, indicating that the latter is of Rydberg type if it is between linear combining states.

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