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首页> 外文期刊>The Journal of Chemical Physics >Photodissociation dynamics of pyrimidine
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Photodissociation dynamics of pyrimidine

机译:嘧啶的光解离动力学

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摘要

Photodissociation of pyrimidine at 193 and 248 nm was investigated separately using vacuum ultraviolet photoionization at 118.4 and 88.6 nm and multimass ion imaging techniques.Six dissociation channels were observed at 193 nm,including C_4N_2H_4->C_4N_2H_3+H and five ring opening dissociation channels,C_4N_2H_4->C_3NH_3+HCN,C_4N_2H_4->2C_2NH_2,C_4N_2H_4->CH_3N+C_3NH,C_4N_2H_4->C_4NH_2+NH_2,and C_4N_2H_4->CH_2N+C_3NH_2.Only the first four channels were observed at 248 nm.Photofragment translational energy distributions and dissociation rates indicate that dissociation occurs in the ground electronic state after internal conversion at both wavelengths.The dissociation rates were found to be >5 X 10~7 and 1 X 10~6 s~(-1) at 193 and 248 nm,respectively.Comparison with the potential energies from ab initio calculations have been made.
机译:使用真空紫外光电离在118.4和88.6 nm以及多质量离子成像技术分别研究了嘧啶在193和248 nm处的光解离。在193 nm处观察到六个解离通道,包括C_4N_2H_4-> C_4N_2H_3 + H和五个开环解离通道,C_4N_2H_4 -> C_3NH_3 + HCN,C_4N_2H_4-> 2C_2NH_2,C_4N_2H_4-> CH_3N + C_3NH,C_4N_2H_4-> C_4NH_2 + NH_2和C_4N_2H_4-> CH_2N + C_3NH_2。在248 nm处仅观察到前四个平移能量分布。速率表明在两个波长内转换后在基态电子状态发生离解。在193和248 nm处,离解速率分别> 5 X 10〜7和1 X 10〜6 s〜(-1)。已经从头算计算与势能进行了比较。

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