Intramolecular electrical and dynamical interactions in formaldehyde: A discussion based on infrared intensity data

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Abstract
In this paper the infrared intensities of formaldehyde d0 and d2 are interpreted on the basis of electro-optical parameters. It is shown that infrared intensities can be used as a powerful tool to electro-optical parameters. It is shown that infrared intensities can be used as a powerful tool to choose among different, even if reasonable, force fields: 16 force fields taken from literature have been examined and only a few of them have been found appropriate to fit infrared intensities. Both electrical and potential intramolecular interactions in CH2O support the hypothesis of a backdonation of electronic charge from the oxygen lone pairs to the CH bonds. An attempt to remove the amibguity in angular electro-optical parameters has been made on the basis of the ‘‘orbital following approximation.’’