Journal
RUSSIAN CHEMICAL BULLETIN
Volume 50, Issue 12, Pages 2325-2335Publisher
CONSULTANTS BUREAU
DOI: 10.1023/A:1015067025720
Keywords
organoboron compounds; aromaticity; induced aromaticity; nonempirical quantum-chemical calculations
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The influence of counterions on the stabilization of three-, five-, and six-membered cyclic organic and organoboron systems was studied by the ab initio (MP2(full)/6-31 I+G**) and density functional (B3LYP/6-3 I I+G**) methods. The structures of molecular charge transfer molecular complexes formed by the interaction with counterions are predicted. A crucial role of counterions in the stabilization of aromatic systems that are unstable in themselves was revealed. Stabilization of these systems involves both charge transfer and covalent bonding.
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