<b>DFT calculations on 1,4-dithiine and S-oxygenated derivatives</b>
The molecular structures of 1,4-dithiine and S-oxygenated derivatives are studied using B3LYP/6-311++G** level of theory. These compounds have 8π-electrons in the ring. This led to stabilization of non-planar conformation. DFT calculations show that 1,4-dithiine, C<sub>4</sub>H<sub>...
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| Format: | Article |
| Language: | English |
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Chemical Society of Ethiopia
2008-12-01
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| Series: | Bulletin of the Chemical Society of Ethiopia |
| Subjects: | |
| Online Access: | http://www.ajol.info/index.php/bcse/article/view/61259 |