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用Wilkinson催化室RhCl(PPh_3)_3研究苯乙烯的加氢反应时,发现随苯乙烯浓度的增加,加氢反应速率一直增加.而在类似条件下,考察环己烯的加氢反应,在环己烯浓度从小逐渐增加时,开始反应速率增加;随后反应速率反而降低.木文根据这一现象,研究了环己烯在Wilkinson催化剂存在下的加氢反应机理.25±0.15℃时,在不同催化剂浓度、环已烯浓度、三苯基膦浓度及氢气压力下,分别考察了对加氢速率的影响,认为反应速率出现的极大值是由于形成了RhClL_2S_2型的五配位的配合物所致.理论和实验的平均相对偏差为4.9.本文还用量子化学对反应中间体进行了计算,结果表明本文的机理是正确的.l
Hydrogenation of styrene with hydrogenation of RhCl (PPh_3) _3 in Wilkinson catalyst chamber showed that the hydrogenation rate increased with the increase of styrene concentration. Under the similar conditions, the hydrogenation of cyclohexene was investigated. According to this phenomenon, the mechanism of hydrogenation of cyclohexene in the presence of Wilkinson catalyst was studied.When the temperature was raised to 25 ± 0.15 ℃, the reaction rate increased and the reaction rate decreased. The effects of catalyst concentration, cyclohexene concentration, triphenylphosphine concentration and hydrogen pressure on the hydrogenation rate were investigated. It is concluded that the maximum value of the reaction rate is due to the formation of a five-coordination complex of RhClL_2S_2 The average relative deviation between theory and experiment is 4.9.The quantum chemistry is also used to calculate the reaction intermediates.The results show that the mechanism of this paper is correct.l