![TEORETIChESKAYa OCENKA KISLOTNOY SILY I KVANTOVO-HIMIChESKIY RASChET MOLEKUL 2-VINILBICIKLO[2,2,1]GEPTENA-2, BICIKLO[2,2,1]GEPTDIENA-2,5 i 2-VINILBICIKLO[2,2,1]GEPTANA METODOM AB INITIO](/upload/21232f297a57a5a743894a0e4a801fc3/journals/cover/95166a87c76a31158ddbba941da1ca51.jpeg)
For the first time it is executed quantum chemical calculation of a molecule of 2-vinilbicyclo[2,2,1]gepten-2, bicyclo[2,2,1]geptdien-2,5 and 2-vinilbicyclo[2,2,1]geptan method AB INITIO with optimization of geometry on all parameters. The optimized geometrical and electronic structure of this connection is received. Acid force of 2-vinilbicyclo[2,2,1]gepten-2, bicyclo[2,2,1]geptdien-2,5 and 2-vinilbicyclo[2,2,1]geptan is theoretically appreciated. It is established, than it to relate to a class of very weak H-acids ( 33 ≤ рКа ≤ 34 , where pKa-universal index of acidity).
квантово-химический расчет, метод AB INITIO, 2-винилбицикло[2,2,1]гептен-2, бицикло[2,2,1]гептдиена-2,5, 2-винилбицикло[2,2,1]гептан, кислотная сила, quantum chemical calculation, method AB INITIO, 2-vinilbicyclo[2,2,1]gepten-2, bicyclo[2,2,1]geptdien-2,5, 2-vinilbicyclo[2,2,1]geptan, acid strength
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