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4π-Electron B–N Monocycles: Stability and (Anti)aromaticity
European Journal of Organic Chemistry ( IF 2.5 ) Pub Date : 2017-09-14 06:55:27 , DOI: 10.1002/ejoc.201700959 Marija Baranac-Stojanović 1
European Journal of Organic Chemistry ( IF 2.5 ) Pub Date : 2017-09-14 06:55:27 , DOI: 10.1002/ejoc.201700959 Marija Baranac-Stojanović 1
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Although B–N/C–C isosterism is widely studied in aromatic compounds, antiaromatic ones are rather unexplored. Thus, the influence of CnCn ![[RIGHTWARDS ARROW]](http://onlinelibrarystatic.wiley.com/undisplayable_characters/002192.gif)
BnNn (n = 1,2) substitution on the stability and antiaromaticity of 4π-electron monocycles is analyzed through DFT calculations. The results and their rationalization could initiate further theoretical and experimental studies on 4nπ B,N-heterocycles.
中文翻译：
4π电子B–N单环：稳定性和（反）芳香性
尽管在芳香族化合物中已广泛研究了B–N / C–C等位异构，但对芳香族化合物的研究还很有限。因此，通过DFT计算分析了C n C n B n N n（n = 1,2）取代对4π电子单环的稳定性和抗芳香性的影响。结果和它们的合理化可以启动关于图4进一步理论和实验研究Ñ πB，N-杂环。
更新日期：2017-09-14
BnNn (n = 1,2) substitution on the stability and antiaromaticity of 4π-electron monocycles is analyzed through DFT calculations. The results and their rationalization could initiate further theoretical and experimental studies on 4nπ B,N-heterocycles.
中文翻译：
4π电子B–N单环：稳定性和（反）芳香性
尽管在芳香族化合物中已广泛研究了B–N / C–C等位异构，但对芳香族化合物的研究还很有限。因此，通过DFT计算分析了C n C n
B n N n（n = 1,2）取代对4π电子单环的稳定性和抗芳香性的影响。结果和它们的合理化可以启动关于图4进一步理论和实验研究Ñ πB，N-杂环。
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