An investigation of electron momentum spectroscopy on the 9a1 and 5b2 orbitals of thiophene
Document Type
Article
Publication Date
12-1-2005
Abstract
The electron momentum spectra of outer valence orbitals 9a 1+5b2 of thiophene (C4H4S) have been studied by binary (e, 2e) electron momentum spectroscopy (EMS), at an impact energy of 1200 eV plus binding energy, and symmetric non-coplanar kinematics. The experimental momentum profile of the summed orbitals is compared with the theoretical momentum distributions calculated using Hartree-Fock (HF) and density functional theory (DFT) methods with various basis sets. The experimental measurement is well described by the HF and DFT calculations, and the calculations using the larger basis sets including diffuse and polarization functions give better descriptions of experiments.
Publication Source (Journal or Book title)
Chinese Science Bulletin
First Page
497
Last Page
500
Recommended Citation
Zhang, S., Su, G., Ren, X., Ning, C., Li, B., Zhou, H., Li, G., & Deng, J. (2005). An investigation of electron momentum spectroscopy on the 9a1 and 5b2 orbitals of thiophene. Chinese Science Bulletin, 50 (6), 497-500. https://doi.org/10.1360/982004-706