Spectrum and decay of the doubly charged water ion
Spectrum and decay of the doubly charged water ion
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DOI：
10.1063/1.450808
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发表时间：
1986-03
影响因子：
4.4
通讯作者：
P. Richardson;J. Eland;P. Fournier;D. L. Cooper
中科院分区：
文献类型：
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作者：
P. Richardson;J. Eland;P. Fournier;D. L. Cooper
H2O、HDO和D2O被黑光电离后的离子-离子符合测量结果表明，H_2O_2~+的离子对从低能级解离为OH~++H~+和H~++H~++O。H_2O_2~+的不同状态分别位于H_2O基态上方的36.5±1和42±1 eV。双电荷转移测量表明，H_2O_2+在41.4 eV和45 eV处有两组单重态，与俄歇谱相一致。新的从头计算预测了H_2O_2~+离子在3B1基态的垂直出现能为39.2 eV，但显示出很强的几何依赖性，并给出了接近36.3 eV的绝热值，与实验结果一致。
Ion–ion coincidence measurements on H2O, HDO, and D2O ionized by Heii light show that the main ion‐pair dissociations from low‐lying states of H2O2+ lead to OH++H+ and H++H++O. Distinct states of H2O2+ are deduced to be at 36.5±1 and at 42±1 eV above the H2O ground state. Double charge transfer measurements show two sets of singlet states of H2O2+ at 41.4 and 45 eV in agreement with the Auger spectrum. New ab initio calculations predict a vertical appearance energy of 39.2 eV for the H2O2+ ion in its 3B1 ground state, but show a very strong geometry dependence, and give an adiabatic value near 36.3 eV, in agreement with experiment.