Photoionization and density functional study of clusters of alkali metal atoms solvated with acetonitrile molecules, M(CH3CN)n (M=Li and Na)

Keijiro Ohshimo; Hironori Tsunoyama; Yoshihiro Yamakita; Fuminori Misaizu; Koichi Ohno

doi:10.1016/S0009-2614(99)00044-5

Photoionization and density functional study of clusters of alkali metal atoms solvated with acetonitrile molecules, M(CH₃CN)_n (M=Li and Na)

Keijiro Ohshimo, Hironori Tsunoyama, Yoshihiro Yamakita, Fuminori Misaizu, Koichi Ohno

SCI - Chemistry

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

25 Citations (Scopus)

Abstract

Photoionization mass spectroscopy of clusters of alkali metal atoms solvated with acetonitrile molecules, M(CH₃CN)_n (M=Li and Na), has shown that their ionization potentials decrease from n=1 to 3, while they increase for n≥4. Calculations based on density functional theory are also made for these clusters and their cations with n=1-3. The nature of the anomalous n dependence of the ionization potential is discussed in relation to the stabilization of neutral clusters due to dipole-dipole interaction between acetonitrile molecules.

Original language	English
Pages (from-to)	356-364
Number of pages	9
Journal	Chemical Physics Letters
Volume	301
Issue number	3-4
DOIs	https://doi.org/10.1016/S0009-2614(99)00044-5
Publication status	Published - 1999 Feb 26

ASJC Scopus subject areas

Physics and Astronomy(all)
Physical and Theoretical Chemistry

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10.1016/S0009-2614(99)00044-5

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title = "Photoionization and density functional study of clusters of alkali metal atoms solvated with acetonitrile molecules, M(CH3CN)n (M=Li and Na)",

abstract = "Photoionization mass spectroscopy of clusters of alkali metal atoms solvated with acetonitrile molecules, M(CH3CN)n (M=Li and Na), has shown that their ionization potentials decrease from n=1 to 3, while they increase for n≥4. Calculations based on density functional theory are also made for these clusters and their cations with n=1-3. The nature of the anomalous n dependence of the ionization potential is discussed in relation to the stabilization of neutral clusters due to dipole-dipole interaction between acetonitrile molecules.",

author = "Keijiro Ohshimo and Hironori Tsunoyama and Yoshihiro Yamakita and Fuminori Misaizu and Koichi Ohno",

note = "Funding Information: The authors thank the Computer Center of the Institute for Molecular Science for provision of the NEC HSP and HPC computer. FM acknowledges the financial support from the Sumitomo Foundation. This work has also been supported in part by a Grant-in-Aid for Scientific Research from the Japanese Ministry of Education, Science, and Culture.",

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T1 - Photoionization and density functional study of clusters of alkali metal atoms solvated with acetonitrile molecules, M(CH3CN)n (M=Li and Na)

AU - Ohshimo, Keijiro

AU - Tsunoyama, Hironori

AU - Yamakita, Yoshihiro

AU - Misaizu, Fuminori

AU - Ohno, Koichi

N1 - Funding Information: The authors thank the Computer Center of the Institute for Molecular Science for provision of the NEC HSP and HPC computer. FM acknowledges the financial support from the Sumitomo Foundation. This work has also been supported in part by a Grant-in-Aid for Scientific Research from the Japanese Ministry of Education, Science, and Culture.

PY - 1999/2/26

Y1 - 1999/2/26

N2 - Photoionization mass spectroscopy of clusters of alkali metal atoms solvated with acetonitrile molecules, M(CH3CN)n (M=Li and Na), has shown that their ionization potentials decrease from n=1 to 3, while they increase for n≥4. Calculations based on density functional theory are also made for these clusters and their cations with n=1-3. The nature of the anomalous n dependence of the ionization potential is discussed in relation to the stabilization of neutral clusters due to dipole-dipole interaction between acetonitrile molecules.

AB - Photoionization mass spectroscopy of clusters of alkali metal atoms solvated with acetonitrile molecules, M(CH3CN)n (M=Li and Na), has shown that their ionization potentials decrease from n=1 to 3, while they increase for n≥4. Calculations based on density functional theory are also made for these clusters and their cations with n=1-3. The nature of the anomalous n dependence of the ionization potential is discussed in relation to the stabilization of neutral clusters due to dipole-dipole interaction between acetonitrile molecules.

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Photoionization and density functional study of clusters of alkali metal atoms solvated with acetonitrile molecules, M(CH₃CN)_n (M=Li and Na)

Abstract

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