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利用LIF方法,在束—气条件下研究了反应Ba+SiCl_4、CH_3SiCl_3、C_6H_5SiCl_3.通过计算机模拟产物BaCl的LIF光谱,以及与反应Ba+CCl_4、CHCl_3、CH_2Cl_2相比较,对反应释能和反应物的对称性在反应中的作用进行了讨论,发现这些反应与反应Ba+CCl_4、CHCl_3、CH_2Cl_2以及某些光解反应有相似的反应机理.并建议反应Ba+C_6H_5SiCl_3有两个反应通道:一个通道是Ba原子的价电子直接进入C_6H_5SiCl_3分子Si-Cl键的反σ轨道,另一个通道是Ba原子的价电子首先进入苯环的反π轨道,反π轨道上的电子通过振动耦合,然后进入Si-Cl的反σ轨道,最终形成BaCl.
The reaction of Ba + SiCl_4, CH_3SiCl_3 and C_6H_5SiCl_3 was studied by LIF method under beam-gas conditions. Compared with the reaction of Ba + CCl_4, CHCl_3 and CH_2Cl_2 by computer simulation of the LIF spectrum of BaCl, The reaction mechanism of Ba + CCl_4, CHCl_3, CH_2Cl_2 and some photodecomposition reactions are similar.It is suggested that the reaction Ba + C_6H_5SiCl_3 has two reaction channels: one channel Is the valence electron of Ba atom directly entering the anti-sigma orbit of the Si-Cl bond of C_6H_5SiCl_3 molecule and the other channel is that the valence electrons of Ba atom first enter the anti-π orbital of benzene ring and the electrons on the anti-π orbital are coupled by vibration and then enter Si -Cl anti-σ orbit, the final formation of BaCl.