![]() Mutual correlations between results obtained by different aromaticity indices are calculated and thoroughly discussed. What is quite intriguing is that it appears that non-planar structures of the studied compounds have a little higher aromaticity than the strictly planar ones. The decreasing effect of the -BH-BH- group is much stronger. ![]() It is shown that insertion of both types of boron groups disturbs and decreases the aromaticity of the corresponding hydrocarbons. Both optimized planar (as in parent hydrocarbons) and non-planar structures were taken into account. HOMA, NICS(0), NICS(1)zz, A and PDI indices were used for studying their aromatic properties. ![]() This article is published with open access at Ībstract Structures of selected polycyclic conjugated hydrocarbons with -B=B- and -BH-BH- moieties inserted in different places were calculated at the B3LYP/6-311++G** level and their aromatic properties evaluated. ![]() Received: 23 November 2015/Accepted: 24 November 2015 Aromaticity of benzenoid hydrocarbons with inserted -B=B- and -BH-BH- groups: a comparison ![]()
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