TY - JOUR
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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U2 - 10.1016/S0009-2614(99)00044-5
DO - 10.1016/S0009-2614(99)00044-5
M3 - Article
AN - SCOPUS:0001248026
SN - 0009-2614
VL - 301
SP - 356
EP - 364
JO - Chemical Physics Letters
JF - Chemical Physics Letters
IS - 3-4
ER -