科研之友
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摘要
Density functional theory has been used to investigate the structure, stability, and aromaticity of a series of nitrogen-containing thiocarbons, which are related to C (n) S (n) (2-) (n = 3-5). We have identified a large number of minimum-energy species which might be synthesized and calculated their aromaticity using the nucleus-independent chemical shift (NICS) method of Schleyer and magnetic susceptibility. Successive substitution of carbon by nitrogen reduces their stability, as reflected in the calculated bond orders. In general, there is no close correlation between the stability and pi-aromaticity of the species studied.
- 出版日期2010-12
- 单位江南大学
