Photoelectron spectroscopy and density functional theory calculation of Nan(CS2)- cluster negative ions for n=1 and 2

Fuminori Misaizu; Hironori Tsunoyama; Yuichiro Yasumura; Keijiro Ohshimo; Koichi Ohno

doi:10.1016/j.cplett.2004.03.098

Photoelectron spectroscopy and density functional theory calculation of Na_n(CS₂)^- cluster negative ions for n=1 and 2

Fuminori Misaizu, Hironori Tsunoyama, Yuichiro Yasumura, Keijiro Ohshimo, Koichi Ohno

SCI - Chemistry

Tohoku University

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

2 Citations (Scopus)

Abstract

Photoelectron spectroscopy of Na_n(CS₂)^- cluster negative ions has been investigated for n=1 and 2. The photoelectron band for the lowest electron binding energy is found to shift to lower energy with increasing n from 0 to 2. This behavior is interpreted, with the results of calculations based on the density functional theory, that the excess electron in these negative cluster ions is predominantly localized on CS₂. The corresponding neutral clusters are found to possess ion-pair nature and have structures similar to those of the negative ions.

Original language	English
Pages (from-to)	241-246
Number of pages	6
Journal	Chemical Physics Letters
Volume	389
Issue number	4-6
DOIs	https://doi.org/10.1016/j.cplett.2004.03.098
Publication status	Published - 2004 May 11

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10.1016/j.cplett.2004.03.098

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title = "Photoelectron spectroscopy and density functional theory calculation of Nan(CS2)- cluster negative ions for n=1 and 2",

abstract = "Photoelectron spectroscopy of Nan(CS2)- cluster negative ions has been investigated for n=1 and 2. The photoelectron band for the lowest electron binding energy is found to shift to lower energy with increasing n from 0 to 2. This behavior is interpreted, with the results of calculations based on the density functional theory, that the excess electron in these negative cluster ions is predominantly localized on CS2. The corresponding neutral clusters are found to possess ion-pair nature and have structures similar to those of the negative ions.",

author = "Fuminori Misaizu and Hironori Tsunoyama and Yuichiro Yasumura and Keijiro Ohshimo and Koichi Ohno",

note = "Funding Information: The authors are grateful to Prof. J.V. Ortiz and Dr. Toshihiko Maeyama for fruitful discussion and to Mr. Masayuki Furuhashi for his technical support in the development of the apparatus. This work has been supported in part by a Grant-in-Aid for Scientific Research from the Japanese Ministry of Education, Culture, Sports, Science and Technology and the fund from Mitsubishi Foundation. Calculations were partly done by using Fujitsu VPP5000 computer of the Computer Center of the Institute for Molecular Science. H.T. and K. Ohshimo are supported by the Research Fellowship of Japan Society for the Promotion of Science for Young Scientists.",

year = "2004",

month = may,

day = "11",

doi = "10.1016/j.cplett.2004.03.098",

language = "English",

volume = "389",

pages = "241--246",

journal = "Chemical Physics Letters",

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T1 - Photoelectron spectroscopy and density functional theory calculation of Nan(CS2)- cluster negative ions for n=1 and 2

AU - Misaizu, Fuminori

AU - Tsunoyama, Hironori

AU - Yasumura, Yuichiro

AU - Ohshimo, Keijiro

AU - Ohno, Koichi

N1 - Funding Information: The authors are grateful to Prof. J.V. Ortiz and Dr. Toshihiko Maeyama for fruitful discussion and to Mr. Masayuki Furuhashi for his technical support in the development of the apparatus. This work has been supported in part by a Grant-in-Aid for Scientific Research from the Japanese Ministry of Education, Culture, Sports, Science and Technology and the fund from Mitsubishi Foundation. Calculations were partly done by using Fujitsu VPP5000 computer of the Computer Center of the Institute for Molecular Science. H.T. and K. Ohshimo are supported by the Research Fellowship of Japan Society for the Promotion of Science for Young Scientists.

PY - 2004/5/11

Y1 - 2004/5/11

N2 - Photoelectron spectroscopy of Nan(CS2)- cluster negative ions has been investigated for n=1 and 2. The photoelectron band for the lowest electron binding energy is found to shift to lower energy with increasing n from 0 to 2. This behavior is interpreted, with the results of calculations based on the density functional theory, that the excess electron in these negative cluster ions is predominantly localized on CS2. The corresponding neutral clusters are found to possess ion-pair nature and have structures similar to those of the negative ions.

AB - Photoelectron spectroscopy of Nan(CS2)- cluster negative ions has been investigated for n=1 and 2. The photoelectron band for the lowest electron binding energy is found to shift to lower energy with increasing n from 0 to 2. This behavior is interpreted, with the results of calculations based on the density functional theory, that the excess electron in these negative cluster ions is predominantly localized on CS2. The corresponding neutral clusters are found to possess ion-pair nature and have structures similar to those of the negative ions.

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DO - 10.1016/j.cplett.2004.03.098

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VL - 389

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EP - 246

JO - Chemical Physics Letters

JF - Chemical Physics Letters

IS - 4-6

ER -

Photoelectron spectroscopy and density functional theory calculation of Na_n(CS₂)^- cluster negative ions for n=1 and 2

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