The HeI excited electron spectrum of phosphine
The HeI excited electron spectrum of phosphine
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磷化氢的 HeI 激发电子能谱
DOI：
10.1080/00268978300100901
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发表时间：
1983
影响因子：
1.7
通讯作者：
K. Siegbahn
中科院分区：
文献类型：
--
作者：
R. Maripuu;I. Reineck;H. Ågren;Nian;J. Rong;Hans Veenhuizen;S. H. Al;L. Karlsson;K. Siegbahn
本文报道了磷化氢（PH_3）的高分辨HeI激发电子能谱。2A 1带揭示了一个广泛的振动进展的v2弯曲模式与不规则的结构在低结合能侧，由于阻碍反转。在CASSCF计算总能量的基础上，通过振动能级和Franck-Condon因子的计算，证实了在PH 3 + 2A 1离子态中存在势垒.在这种离子状态下，P-H键与三个氢原子平面之间的平衡角被确定为15.5 °，反型势垒为160 meV。该跃迁的绝热电子结合能（[Xtilde] 2A 1 <$X1A1）为9.868 ± 0.005eV.
The HeI excited electron spectrum of phosphine (PH3) has been recorded with high resolution. The 2 A 1 band reveals an extensive vibrational progression in the v 2 bending mode with irregular structure at the low binding energy side due to hindered inversion. The existence of a barrier in the PH3 + 2 A 1 ionic state has been confirmed by vibrational energy level and Franck-Condon factor calculations based on CASSCF calculations of the total energy. The equilibrium angle between a P-H bond and the plane of the three hydrogen atoms in this ionic state was determined to be 15·5° and the barrier against inversion to be 160 meV. The adiabatic electron binding energy of this transition ([Xtilde] 2 A 1 ←X 1 A 1) was found to be 9·868±0·005 eV.