Citation:
JIAO Shuke, LU Chongxian, JIANG Jian. CONFIGURATION OF VO(OR)2Cl-Al(i-Bu)3 CATALYST SYSTEM AND CHARGE DISTRIBUTION OF VANADIUM CENTRAL ION[J]. Chinese Journal of Polymer Science,
1987, 5(1): 66-75.
CONFIGURATION OF VO(OR)2Cl-Al(i-Bu)3 CATALYST SYSTEM AND CHARGE DISTRIBUTION OF VANADIUM CENTRAL ION
摘要:
According to the caiculation of quantum chemistry it come be deduced that conngurauons or the catalysts VO(OR)2Cl-Al (i-Bu)3, for the alternating Copolymerization of butadiene with propene, the highest reactive configuration was A. When the catalyst complex forms the configuration A, the energy of the system was the lowest; the central vanadium atom had relatively high positive charge and whose frontier orbital overlapped easily with the frontier orbital of butadiene to form coordination complex, so it was concluded from the experimental results and calculations that the configuration of the catalyst of relatively high actibity was A.
English
CONFIGURATION OF VO(OR)2Cl-Al(i-Bu)3 CATALYST SYSTEM AND CHARGE DISTRIBUTION OF VANADIUM CENTRAL ION
Abstract:
According to the caiculation of quantum chemistry it come be deduced that conngurauons or the catalysts VO(OR)2Cl-Al (i-Bu)3, for the alternating Copolymerization of butadiene with propene, the highest reactive configuration was A. When the catalyst complex forms the configuration A, the energy of the system was the lowest; the central vanadium atom had relatively high positive charge and whose frontier orbital overlapped easily with the frontier orbital of butadiene to form coordination complex, so it was concluded from the experimental results and calculations that the configuration of the catalyst of relatively high actibity was A.
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