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Molecular Physics
An International Journal at the Interface Between Chemistry and Physics
Volume 48, 1983 - Issue 6
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Original Articles

The HeI excited electron spectrum of phosphine

An experimental and theoretical study

R. Maripuu Institute of Physics, Uppsala University, Box 530, S-751 21, Uppsala
,
I. Reineck Institute of Physics, Uppsala University, Box 530, S-751 21, Uppsala
,
H. Ågren Institute of Physics, Uppsala University, Box 530, S-751 21, Uppsala; Department of Physical Chemistry 2, Kemicentrum, S-220 07, Lund, Sweden
,
Wu Nian-Zu Institute of Physics, Uppsala University, Box 530, S-751 21, Uppsala; Department of Chemistry, Peking University, Peking, China
,
Ji Ming Rong Institute of Physics, Uppsala University, Box 530, S-751 21, Uppsala; Department of Chemistry, China University of Science & Technology, Hefei City, Anhui Province, China
,
H. Veenhuizen Institute of Physics, Uppsala University, Box 530, S-751 21, Uppsala
,
S.H. Al-Shamma Institute of Physics, Uppsala University, Box 530, S-751 21, Uppsala; Department of Physics and Mathematics, College of Education University of Mosul, Mosul, Iraq
,
L. Karlsson Institute of Physics, Uppsala University, Box 530, S-751 21, Uppsala
&
K. Siegbahn Institute of Physics, Uppsala University, Box 530, S-751 21, Uppsala
 show all
Pages 1255-1267 | Received 09 Sep 1982, Accepted 21 Oct 1982, Published online: 22 Aug 2006
 
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Abstract

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.

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Related Research Data

Estimating the intrinsic limit of the Feller-Peterson-Dixon composite approach when applied to adiabatic ionization potentials in atoms and small molecules.
Source: AIP Publishing

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