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
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
VL - 301
SP - 356
EP - 364
JO - Chemical Physics Letters
JF - Chemical Physics Letters
SN - 0009-2614
IS - 3-4
ER -