SINDO1 study of the photoisomerization mechanisms of thiophenes
โ Scribed by Jug, Karl; Schluff, Hans Peter
- Book ID
- 126249261
- Publisher
- American Chemical Society
- Year
- 1991
- Tongue
- English
- Weight
- 677 KB
- Volume
- 56
- Category
- Article
- ISSN
- 0022-3263
No coin nor oath required. For personal study only.
๐ SIMILAR VOLUMES
The photolysis of 2,3-bis(trifluoromethyl)thiophene gave an equilibrium mixture of 2,3-and 3,4-bis(trifluoromethyl)Dewar thiophenes, while that of 2,5-bis(trifluoromethyl)thiophene gave 2,4-bis(trifluoromethyl)thiophene, which seemed to be formed through an intermediate other than the Dewar form.
The mechanism of the photoreaction of tetramethylene sulfone (TMSO,) was investigated by the semiempirical molecular orbital (MO) method SINDOl. The relevant low-lying potential energy surfaces, which were calculated with limited configuration interaction (CI), were studied by optimizing intermediat