Experimental and theoretical investigation of valence orbitals in 1,4-dioxane by electron momentum spectroscopy

Tie Cheng Yang; Chuan Gang Ning; Guo Lin Su; Jing Kang Deng; Shu Feng Zhang; Xue Guang Ren; Yan Ru Huang

doi:10.1088/0256-307X/23/5/026

Experimental and theoretical investigation of valence orbitals in 1,4-dioxane by electron momentum spectroscopy

Tie Cheng Yang
, Chuan Gang Ning
, Guo Lin Su
, Jing Kang Deng
, Shu Feng Zhang
, Xue Guang Ren
, Yan Ru Huang

Tsinghua University

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

7 Scopus citations

Abstract

The binding energy spectrum of all valence orbitals and the momentum distributions of highest occupied molecular orbital (HOMO: 8a_g), 7b_u+7a_g, 4b_u, 2b_g+4a_g and 2a_u in 1, 4-dioxane are investigated by electron momentum spectroscopy (EMS) with 600 eV impact energy. The experimental results are consistent with theoretical calculations of C_2h chair conformation using the Hartree-Fock method and density functional theory with 6-311++G ^** and AUG-CC-PVTZ basis sets.

Original language	English
Pages (from-to)	1157-1160
Number of pages	4
Journal	Chinese Physics Letters
Volume	23
Issue number	5
DOIs	https://doi.org/10.1088/0256-307X/23/5/026
State	Published - 1 May 2006
Externally published	Yes

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10.1088/0256-307X/23/5/026

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@article{c186f663a2a84cf998f284525222b9ac,

title = "Experimental and theoretical investigation of valence orbitals in 1,4-dioxane by electron momentum spectroscopy",

abstract = "The binding energy spectrum of all valence orbitals and the momentum distributions of highest occupied molecular orbital (HOMO: 8ag), 7bu+7ag, 4bu, 2bg+4ag and 2au in 1, 4-dioxane are investigated by electron momentum spectroscopy (EMS) with 600 eV impact energy. The experimental results are consistent with theoretical calculations of C2h chair conformation using the Hartree-Fock method and density functional theory with 6-311++G ** and AUG-CC-PVTZ basis sets.",

author = "Yang, \{Tie Cheng\} and Ning, \{Chuan Gang\} and Su, \{Guo Lin\} and Deng, \{Jing Kang\} and Zhang, \{Shu Feng\} and Ren, \{Xue Guang\} and Huang, \{Yan Ru\}",

year = "2006",

month = may,

day = "1",

doi = "10.1088/0256-307X/23/5/026",

language = "英语",

volume = "23",

pages = "1157--1160",

journal = "Chinese Physics Letters",

issn = "0256-307X",

publisher = "IOP Publishing Ltd.",

number = "5",

}

TY - JOUR

T1 - Experimental and theoretical investigation of valence orbitals in 1,4-dioxane by electron momentum spectroscopy

AU - Yang, Tie Cheng

AU - Ning, Chuan Gang

AU - Su, Guo Lin

AU - Deng, Jing Kang

AU - Zhang, Shu Feng

AU - Ren, Xue Guang

AU - Huang, Yan Ru

PY - 2006/5/1

Y1 - 2006/5/1

N2 - The binding energy spectrum of all valence orbitals and the momentum distributions of highest occupied molecular orbital (HOMO: 8ag), 7bu+7ag, 4bu, 2bg+4ag and 2au in 1, 4-dioxane are investigated by electron momentum spectroscopy (EMS) with 600 eV impact energy. The experimental results are consistent with theoretical calculations of C2h chair conformation using the Hartree-Fock method and density functional theory with 6-311++G ** and AUG-CC-PVTZ basis sets.

AB - The binding energy spectrum of all valence orbitals and the momentum distributions of highest occupied molecular orbital (HOMO: 8ag), 7bu+7ag, 4bu, 2bg+4ag and 2au in 1, 4-dioxane are investigated by electron momentum spectroscopy (EMS) with 600 eV impact energy. The experimental results are consistent with theoretical calculations of C2h chair conformation using the Hartree-Fock method and density functional theory with 6-311++G ** and AUG-CC-PVTZ basis sets.

UR - https://www.scopus.com/pages/publications/33646425847

U2 - 10.1088/0256-307X/23/5/026

DO - 10.1088/0256-307X/23/5/026

M3 - 文章

AN - SCOPUS:33646425847

SN - 0256-307X

VL - 23

SP - 1157

EP - 1160

JO - Chinese Physics Letters

JF - Chinese Physics Letters

IS - 5

ER -

Experimental and theoretical investigation of valence orbitals in 1,4-dioxane by electron momentum spectroscopy

Abstract

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