Calculation of vibronic magnetic rotational strengths in formaldehyde
- 1 March 1974
- journal article
- research article
- Published by AIP Publishing in The Journal of Chemical Physics
- Vol. 60 (5) , 1943-1951
- https://doi.org/10.1063/1.1681298
Abstract
The magnetic rotational strengths (MRS) associated with the non‐totally‐symmetric vibrations in formaldehyde are calculated with CNDO/2 wave functions. The effects of configuration interaction are examined. We have also identified a single term that dominates the MRS. This raises the possibility of an economy of thought in attempts at correlating MRS data with molecular structure in the case of magnetic dipole allowed transitions.Keywords
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