Electron momentum spectroscopy investigation on the 1a' inner valence orbital of cyclopentene

Document Type

Article

Publication Date

9-1-2005

Abstract

The ionization energy spectrum and the spherically averaged momentum distribution of 1a' inner valance orbital for cyclopentene have been investigated by using a high resolution (ΔE = 1.15 eV, Δp ≈ 0.1 a. u.) electron momentum spectrometer. The impact energy was 1200 eV plus binding energy (i.e. 1202-1234eV) and a symmetric non-coplanar kinematics was employed. The experimental momentum profile of the 1a' inner valence orbital is obtained and compared with the theoretical momentum distributions calculated by using Hartree-Fock and density functional theory methods with the basis sets STO-3G, 6-31G, 6-311 + + G** and aug-cc-pVTZ. The pole strength of the 1a' inner valence orbital is estimated and the electron correlation effects are discussed.

Publication Source (Journal or Book title)

Wuli Xuebao/Acta Physica Sinica

First Page

4108

Last Page

4112

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