Normal-coordinate analysis of formaldehyde and its deuterated species in the singlet excited state (1A2)
Abstract
A normal-coordinate treatment has been carried out for CH2O, CHDO, and CD2O in the 1A2 excited state using the most general quadratic potential function of the valence force type and employing a perturbation programme. Using the available data for the three isotopic molecules, a set of force constants was calculated, five unobserved frequencies were predicted and one reported frequency was corrected. The reliability of the predicted values was checked using the product rule and the sum rule for the isotopic species.
- Publication:
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Molecular Physics
- Pub Date:
- 1968
- DOI:
- Bibcode:
- 1968MolPh..14..473K