An investigation of the HOMO electron density distribution of cyclopentene by electron momentum spectroscopy

X. G. Ren; C. G. Ning; J. K. Deng; S. F. Zhang; G. L. Su; H. Zhou; B. Li; G. Q. Li

doi:10.1016/j.cplett.2004.08.093

An investigation of the HOMO electron density distribution of cyclopentene by electron momentum spectroscopy

X. G. Ren
, C. G. Ning
, J. K. Deng
, S. F. Zhang
, G. L. Su
, H. Zhou
, B. Li
, G. Q. Li

Tsinghua University

Research output: Contribution to journal › Article › peer-review

5 Scopus citations

Abstract

The highest occupied molecular orbital (HOMO) of cyclopentene (C ₅H ₈) has been studied by a binary (e, 2e) electron momentum spectroscopy, at an impact energy of 1200 eV plus the binding energy and using symmetric non-coplanar kinematics. The first measurements of the complete valence shell binding energy spectra and the HOMO momentum profile are reported. The experimental momentum profile of HOMO is compared with the theoretical momentum profiles calculated using Hartree-Fock and density functional theory method with various basis sets. The EMS experimental result is well described by the calculations.

Original language	English
Pages (from-to)	82-86
Number of pages	5
Journal	Chemical Physics Letters
Volume	397
Issue number	1-3
DOIs	https://doi.org/10.1016/j.cplett.2004.08.093
State	Published - 11 Oct 2004
Externally published	Yes

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10.1016/j.cplett.2004.08.093

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@article{3b0535b76d3d4eef901dbaa53fe0e049,

title = "An investigation of the HOMO electron density distribution of cyclopentene by electron momentum spectroscopy",

abstract = "The highest occupied molecular orbital (HOMO) of cyclopentene (C 5H 8) has been studied by a binary (e, 2e) electron momentum spectroscopy, at an impact energy of 1200 eV plus the binding energy and using symmetric non-coplanar kinematics. The first measurements of the complete valence shell binding energy spectra and the HOMO momentum profile are reported. The experimental momentum profile of HOMO is compared with the theoretical momentum profiles calculated using Hartree-Fock and density functional theory method with various basis sets. The EMS experimental result is well described by the calculations.",

author = "Ren, \{X. G.\} and Ning, \{C. G.\} and Deng, \{J. K.\} and Zhang, \{S. F.\} and Su, \{G. L.\} and H. Zhou and B. Li and Li, \{G. Q.\}",

year = "2004",

month = oct,

day = "11",

doi = "10.1016/j.cplett.2004.08.093",

language = "英语",

volume = "397",

pages = "82--86",

journal = "Chemical Physics Letters",

issn = "0009-2614",

publisher = "Elsevier B.V.",

number = "1-3",

}

TY - JOUR

T1 - An investigation of the HOMO electron density distribution of cyclopentene by electron momentum spectroscopy

AU - Ren, X. G.

AU - Ning, C. G.

AU - Deng, J. K.

AU - Zhang, S. F.

AU - Su, G. L.

AU - Zhou, H.

AU - Li, B.

AU - Li, G. Q.

PY - 2004/10/11

Y1 - 2004/10/11

N2 - The highest occupied molecular orbital (HOMO) of cyclopentene (C 5H 8) has been studied by a binary (e, 2e) electron momentum spectroscopy, at an impact energy of 1200 eV plus the binding energy and using symmetric non-coplanar kinematics. The first measurements of the complete valence shell binding energy spectra and the HOMO momentum profile are reported. The experimental momentum profile of HOMO is compared with the theoretical momentum profiles calculated using Hartree-Fock and density functional theory method with various basis sets. The EMS experimental result is well described by the calculations.

AB - The highest occupied molecular orbital (HOMO) of cyclopentene (C 5H 8) has been studied by a binary (e, 2e) electron momentum spectroscopy, at an impact energy of 1200 eV plus the binding energy and using symmetric non-coplanar kinematics. The first measurements of the complete valence shell binding energy spectra and the HOMO momentum profile are reported. The experimental momentum profile of HOMO is compared with the theoretical momentum profiles calculated using Hartree-Fock and density functional theory method with various basis sets. The EMS experimental result is well described by the calculations.

UR - https://www.scopus.com/pages/publications/7444267368

U2 - 10.1016/j.cplett.2004.08.093

DO - 10.1016/j.cplett.2004.08.093

M3 - 文章

AN - SCOPUS:7444267368

SN - 0009-2614

VL - 397

SP - 82

EP - 86

JO - Chemical Physics Letters

JF - Chemical Physics Letters

IS - 1-3

ER -

An investigation of the HOMO electron density distribution of cyclopentene by electron momentum spectroscopy

Abstract

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