![]() 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, K and PDI indices were used for studying their aromatic properties. ZborowskiStructures of selected polycyclic conjugated hydrocarbons with -B=B- and -BH-BH- moieties inserted in different places were calculated at the B3LYP/6311?G** level and their aromatic properties evaluated. Zborowski 0 1 2Ibon Alkorta 0 1 2Jose Elguero 0 1 20 Instituto de Qu ́ımica Me ́dica (C.S.I.C.), Juan de la Cierva 3, 28006 Madrid, Spain1 Faculty of Chemistry, Jagiellonian University, 3 Ingardena Street, 30-060 Krako ́w, Poland2 & Krzysztof K. Aromaticity of benzenoid hydrocarbons with inserted -B=B- and -BH-BH- groups: a comparisonKrzysztof K. ![]()
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