Abstract
Using the semiempirical quantum-chemical AM1 method, the geometries of double chain molecules of (C 5H 9− i Cl 2− i )(C 5H 9− j Cl 2− j )CH–CH(C 5H 8− m Cl 3− m )(C 5H 8− n Cl 3− n ) with i, j, m, n=0–2 were optimized within the fully non-rigid model as well as with the partial influence of the environment modeled by chains planarity. Double CC bonds are formed primarily in the vicinity of the inter-chain bond but alternatively on both chains. The results obtained for both mentioned models differ substantially.
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