The combined semiempirical AM1 and MM2 study of the ring inversion processes in 9,lO-dihydroanthracene ( l ) , 9,lO-dihydrophenanthrene (2), and 7,12-dihydropleiadene (3) predicts planar transition states for 1 and 2, in accord with earlier assumptions. In the case of 3, however, a nonplanar, chair-
โฆ LIBER โฆ
Some molecular orbital computations of the inversion barrier in 9,10-dihydroanthracene
โ Scribed by Ted Schaefer; Rudy Sebastian
- Book ID
- 119116823
- Publisher
- Elsevier Science
- Year
- 1987
- Tongue
- English
- Weight
- 225 KB
- Volume
- 153
- Category
- Article
- ISSN
- 0166-1280
No coin nor oath required. For personal study only.
๐ SIMILAR VOLUMES
Pathways for ring inversion in 9, 10-dih
โ
Andrzej Sygula; Peter W. Rabideau
๐
Article
๐
1992
๐
John Wiley and Sons
๐
English
โ 665 KB
Magnetic resonance study of conformation
โ
Holubec, Z. M.; Jonas, J.
๐
Article
๐
1968
๐
American Chemical Society
๐
English
โ 778 KB
Further molecular orbital computations o
โ
Ted Schaefer; Rudy Sebastian
๐
Article
๐
1993
๐
Elsevier Science
๐
English
โ 188 KB
Some molecular orbital computations of t
โ
Ted Schaefer; Rudy Sebastian; Frank E. Hruska
๐
Article
๐
1993
๐
Elsevier Science
๐
English
โ 540 KB
Molecular orbital calculations of the ro
โ
Joseph J. BelBruno
๐
Article
๐
1995
๐
Elsevier Science
๐
English
โ 327 KB
Molecular inversion in the nฯ* states: A
โ
Manas Banerjee; Sankar Prasad Bhattacharyya
๐
Article
๐
1982
๐
John Wiley and Sons
๐
English
โ 410 KB
## Abstract The considerations of Walsh rules are extended to rationalize the loss of planarity in the ^1,3^__n__ฯ\* states of simple carbonyl and thiocarbonyl molecules. The role of Fermi correlation in shaping the differences between conformations in the singlet and the triplet state is emphasize