Molecular interactions of dibenzoylmethanatoboron difluoride (DBMBF2) in the excited and ground states in solution
β Scribed by Yuan L. Chow; Xianen Cheng; Carl I. Johansson
- Publisher
- Elsevier Science
- Year
- 1991
- Tongue
- English
- Weight
- 647 KB
- Volume
- 57
- Category
- Article
- ISSN
- 1010-6030
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π SIMILAR VOLUMES
Using a recently modified INDO method the equilibrium intermolecular distance and heats of formation of various types of molecular complexes (CT, HB, CTTS, etc.) have been calculated. The results obtained are in reasonable agreement with available ab initio studies.
The excited siztes of F2 have been ~vestiga~ed as a function of the internuclear distance by a series of c~n~~ur~t~u~ interactiun crtkulations. Numerous avoided curve-cro&ngs between valence, Rydberg (3s and 3p), and ionic (FfF3 electronic states have been found. Transition moments from the ground s