Investigation of propane using electron momentum spectroscopy

C. C. Jia, X. J. Chen, S. X. Tian, G. Oy, Leilei Peng, B. X. Yang, K. Z. Xu, L. F. Yuan, J. L. Yang

Research output: Contribution to journalArticle

10 Citations (Scopus)

Abstract

The valence shell binding energy spectra and three inner valence orbitals electron momentum distributions for propane (C3H8) are measured by symmetric non-coplanar electron momentum spectroscopy at an impact energy of 1200 eV. The measured binding energy spectrum is compared with previously published results. The experimental momentum profiles of three inner valence orbitals are compared with calculated momentum profiles by Hartree-Fock and density functional theory (DFT-B3LYP) methods using double-zeta and 6-311++G** basis sets. Agreement is found between experimental and calculated results. The position and momentum space density maps for three inner valence orbitals of oriented C3H8 molecule are presented.

Original languageEnglish (US)
Pages (from-to)1515-1522
Number of pages8
JournalJournal of Physics B: Atomic, Molecular and Optical Physics
Volume32
Issue number6
DOIs
StatePublished - Mar 28 1999
Externally publishedYes

Fingerprint

propane
momentum
valence
spectroscopy
electrons
energy spectra
binding energy
orbitals
electron orbitals
space density
profiles
density functional theory
molecules
energy

ASJC Scopus subject areas

  • Physics and Astronomy(all)
  • Atomic and Molecular Physics, and Optics

Cite this

Investigation of propane using electron momentum spectroscopy. / Jia, C. C.; Chen, X. J.; Tian, S. X.; Oy, G.; Peng, Leilei; Yang, B. X.; Xu, K. Z.; Yuan, L. F.; Yang, J. L.

In: Journal of Physics B: Atomic, Molecular and Optical Physics, Vol. 32, No. 6, 28.03.1999, p. 1515-1522.

Research output: Contribution to journalArticle

Jia, CC, Chen, XJ, Tian, SX, Oy, G, Peng, L, Yang, BX, Xu, KZ, Yuan, LF & Yang, JL 1999, 'Investigation of propane using electron momentum spectroscopy', Journal of Physics B: Atomic, Molecular and Optical Physics, vol. 32, no. 6, pp. 1515-1522. https://doi.org/10.1088/0953-4075/32/6/014
Jia, C. C. ; Chen, X. J. ; Tian, S. X. ; Oy, G. ; Peng, Leilei ; Yang, B. X. ; Xu, K. Z. ; Yuan, L. F. ; Yang, J. L. / Investigation of propane using electron momentum spectroscopy. In: Journal of Physics B: Atomic, Molecular and Optical Physics. 1999 ; Vol. 32, No. 6. pp. 1515-1522.
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AU - Jia, C. C.

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AU - Tian, S. X.

AU - Oy, G.

AU - Peng, Leilei

AU - Yang, B. X.

AU - Xu, K. Z.

AU - Yuan, L. F.

AU - Yang, J. L.

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N2 - The valence shell binding energy spectra and three inner valence orbitals electron momentum distributions for propane (C3H8) are measured by symmetric non-coplanar electron momentum spectroscopy at an impact energy of 1200 eV. The measured binding energy spectrum is compared with previously published results. The experimental momentum profiles of three inner valence orbitals are compared with calculated momentum profiles by Hartree-Fock and density functional theory (DFT-B3LYP) methods using double-zeta and 6-311++G** basis sets. Agreement is found between experimental and calculated results. The position and momentum space density maps for three inner valence orbitals of oriented C3H8 molecule are presented.

AB - The valence shell binding energy spectra and three inner valence orbitals electron momentum distributions for propane (C3H8) are measured by symmetric non-coplanar electron momentum spectroscopy at an impact energy of 1200 eV. The measured binding energy spectrum is compared with previously published results. The experimental momentum profiles of three inner valence orbitals are compared with calculated momentum profiles by Hartree-Fock and density functional theory (DFT-B3LYP) methods using double-zeta and 6-311++G** basis sets. Agreement is found between experimental and calculated results. The position and momentum space density maps for three inner valence orbitals of oriented C3H8 molecule are presented.

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