Planar lithium silolide: aromaticity, with significant contribution of non-classical resonance structures
نویسندگان
چکیده
منابع مشابه
Evaluation of the Aromaticity of a Non-Planar Carbon Nano-Structure by Nucleus-Independent Chemical Shift Criterion: Aromaticity of the Nitrogen- Doped Corannulene
Substitution of two or four carbon atoms by nitrogen in the corannulene molecule as a carbon nanostructure was done and the obtained structures were optimized at MP2/6-31G(d) level of theory. Calculations of the nucleus-independent chemical shift (NICS) were performed to analyze the aromaticity of the corannulene rings and its derivatives upon doping with N at B3LYP/6-31G(d) level of theory. Re...
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15 صفحه اولevaluation of the aromaticity of a non-planar carbon nano-structure by nucleus-independent chemical shift criterion: aromaticity of the nitrogen- doped corannulene
substitution of two or four carbon atoms by nitrogen in the corannulene molecule as a carbon nanostructure was done and the obtained structures were optimized at mp2/6-31g(d) level of theory. calculations of the nucleus-independent chemical shift (nics) were performed to analyze the aromaticity of the corannulene rings and its derivatives upon doping with n at b3lyp/6-31g(d) level of theory. re...
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ژورنال
عنوان ژورنال: Chem. Commun.
سال: 2017
ISSN: 1359-7345,1364-548X
DOI: 10.1039/c7cc07004g