| CONFIGURATION OF VO(OR)_2Cl-Al(i-Bu)_3 CATALYST SYSTEM AND CHARGE DISTRIBUTION OF VANADIUM CENTRAL ION |
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| 作者姓名： | 焦书科 鲁崇贤 姜健 |
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| 作者单位： | Beijing Institute of Chemical Technology，Beijing，Beijing Institute of Chemical Technology，Beijing，Beijing Institute of Chemical Technology，Beijing |
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| 基金项目： | Project was supported by Science Fund of the Chinese Academy of Sciences |
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| 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 activity was A.
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| 收稿时间： | 1986-04-01 |
CONFIGURATION OF VO(OR)2Cl-Al(i-Bu)3 CATALYST SYSTEM AND CHARGE DISTRIBUTION OF VANADIUM CENTRAL ION |
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| 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,1987,0(1):66-75. |
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| Authors: | JIAO Shuke LU Chongxian JIANG Jian |
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| Institution: | Beijing Institute of Chemical Technology; Beijing |
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| 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 activity was A. |
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| Keywords: | Energy of catalyst complex Charge distribution of catalyst center ion Configuration of vanadium catalyst Quantum chemistry calculation of catalyst system |
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