CNDO/2 study of the effect of the nature of the substituent on the electronic state of the epoxide ring
β Scribed by E. G. Furman; A. P. Meleshevich
- Book ID
- 112359900
- Publisher
- Springer
- Year
- 1978
- Tongue
- English
- Weight
- 517 KB
- Volume
- 13
- Category
- Article
- ISSN
- 0040-5760
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Only recently has been completed the synthesis of the series of the three possible isomeric thienothiophenes, thieno[4,5\_b]thiophene II, thieno[2,3-b]thiophene III and thieno[3,4\_b]thiophene IV (Fig.l), with an appearance of the report on the isolation of the most unstable isomer of the above thre
## Abstract The general correlation between the electron densities and the ^13^C NMR chemical shifts is found to be quite poor in the cases discussed. The nonβadditivities of the substituent effects on the chemical shifts and the CNDO/2 electron densities correlate only weakly. However, when the el