Force constants of dimethylmercury are calculated using the vibrational frequencies of gaseous (CH3)2Hg and (CD3)2Hg. A force constant calculation utilizing the generalised inverse matrix procedure is discussed briefly. Assuming a free rotational model, the force field is introduced as a trigonometrical function of the torsional angle γ; the time variant corrections of vibrational frequencies and normal coordinate vectors which this involves are investigated.
ASJC Scopus subject areas
- Physical and Theoretical Chemistry
- Organic Chemistry
- Inorganic Chemistry
- Materials Chemistry