An ab initio study of di-coordinate aluminum cations and comparison with their boron analogs
β Scribed by Jeffrey L. Coffer; John D. Petersen; Dennis W. Bennett
- Book ID
- 119116270
- Publisher
- Elsevier Science
- Year
- 1985
- Tongue
- English
- Weight
- 463 KB
- Volume
- 122
- Category
- Article
- ISSN
- 0166-1280
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π SIMILAR VOLUMES
## Abstract The structure, the interaction energy, and the vibrational spectrum of the electron donorβacceptor complex formed between boron trifluoride, as a Lewis acid, and formaldehyde, as a Lewis base, have been determined by means of ab initio calculations at the secondβorder level of MΓΈllerβPl
Rotational barriers and Ο conjugation effects have been SCH 3 species. An acute B-S-C angle (69.6Β°) is found, thus evidencing a direct Hβ’β’β’B agostic interaction with a four-studied in H 2 X-YR systems (X = Al, B; Y = O, S; R = H, CH 3 ) by means of ab initio calculations at the MP4/6-311G\*\*// memb