Vibrational effects on valence electron momentum distributions of ethylene

Noboru Watanabe; Masakazu Yamazaki; Masahiko Takahashi

doi:10.1063/1.4752653

Vibrational effects on valence electron momentum distributions of ethylene

Noboru Watanabe, Masakazu Yamazaki, Masahiko Takahashi

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Abstract

We report an electron momentum spectroscopy study of vibrational effects on the electron momentum distributions for the outer valence orbitals of ethylene (C ₂H ₄). The symmetric noncoplanar (e,2e) experiment has been conducted at an impact energy of 1.2 keV. Furthermore, a theoretical method of calculating electron momentum distributions for polyatomic molecules has been developed with vibrational effects being involved. It is shown from comparisons between experiment and theory that taking into account effects of the CH ₂ asymmetric stretching and CH ₂ rocking vibrational modes of C ₂H ₄ is essential for a proper understanding of the electron momentum distribution of the 1b _3g molecular orbital.

Original language	English
Article number	114301
Journal	Journal of Chemical Physics
Volume	137
Issue number	11
DOIs	https://doi.org/10.1063/1.4752653
Publication status	Published - 2012 Sept 21

ASJC Scopus subject areas

Physics and Astronomy(all)
Physical and Theoretical Chemistry

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title = "Vibrational effects on valence electron momentum distributions of ethylene",

abstract = "We report an electron momentum spectroscopy study of vibrational effects on the electron momentum distributions for the outer valence orbitals of ethylene (C 2H 4). The symmetric noncoplanar (e,2e) experiment has been conducted at an impact energy of 1.2 keV. Furthermore, a theoretical method of calculating electron momentum distributions for polyatomic molecules has been developed with vibrational effects being involved. It is shown from comparisons between experiment and theory that taking into account effects of the CH 2 asymmetric stretching and CH 2 rocking vibrational modes of C 2H 4 is essential for a proper understanding of the electron momentum distribution of the 1b 3g molecular orbital.",

author = "Noboru Watanabe and Masakazu Yamazaki and Masahiko Takahashi",

note = "Funding Information: This research was supported by the Ministry of Education, Culture, Sports, Science and Technology, grant-in-aid for Scientific Research (S) (Grant No. 20225001), and grant-in-aid for Scientific Research (C) (Grant No. 22550002).",

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AU - Watanabe, Noboru

AU - Yamazaki, Masakazu

AU - Takahashi, Masahiko

N1 - Funding Information: This research was supported by the Ministry of Education, Culture, Sports, Science and Technology, grant-in-aid for Scientific Research (S) (Grant No. 20225001), and grant-in-aid for Scientific Research (C) (Grant No. 22550002).

PY - 2012/9/21

Y1 - 2012/9/21

N2 - We report an electron momentum spectroscopy study of vibrational effects on the electron momentum distributions for the outer valence orbitals of ethylene (C 2H 4). The symmetric noncoplanar (e,2e) experiment has been conducted at an impact energy of 1.2 keV. Furthermore, a theoretical method of calculating electron momentum distributions for polyatomic molecules has been developed with vibrational effects being involved. It is shown from comparisons between experiment and theory that taking into account effects of the CH 2 asymmetric stretching and CH 2 rocking vibrational modes of C 2H 4 is essential for a proper understanding of the electron momentum distribution of the 1b 3g molecular orbital.

AB - We report an electron momentum spectroscopy study of vibrational effects on the electron momentum distributions for the outer valence orbitals of ethylene (C 2H 4). The symmetric noncoplanar (e,2e) experiment has been conducted at an impact energy of 1.2 keV. Furthermore, a theoretical method of calculating electron momentum distributions for polyatomic molecules has been developed with vibrational effects being involved. It is shown from comparisons between experiment and theory that taking into account effects of the CH 2 asymmetric stretching and CH 2 rocking vibrational modes of C 2H 4 is essential for a proper understanding of the electron momentum distribution of the 1b 3g molecular orbital.

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Vibrational effects on valence electron momentum distributions of ethylene

Abstract

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