Induced aromaticity |
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| Authors: | Minyaev R M Minkin V I Starikov A G Gribanova T N |
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| Institution: | (1) Institute of Physical and Organic Chemistry at Rostov State University, 194/2 prosp. Stachki, 344090 Rostov-on-Don, Russian Federation |
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| Abstract: | 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)/6-311+G**) and density functional (B3LYP/6-311+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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| Keywords: | organoboron compounds aromaticity induced aromaticity nonempirical quantum-chemical calculations |
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