ON DEHYDROCHLORINATION OF CROSS-LINKED POLY(VINYL CHLORIDE)

Using the semiempirical quantum-chemical AM1 method, the geometries of double chain molecules of (C5H9-iCl2-i)(C5H9 (-j))Cl2-j)CH-CH(C5H8-mC l3 -m)(C5H8-nCl3-n) with i, j, m, n = 0-2 were optimized within the fu lly non-rigid model as well as with the partial influence of the envir onment modeled by chains planarity. Double C=C bonds are formed primar ily in the vicinity of the inter-chain bond but alternatively on both chains. The results obtained for both mentioned models differ substant ially. (C) 1998 Elsevier Science Ltd. All rights reserved.