PHOTOIONIZATION AND DENSITY FUNCTIONAL STUDY OF ALKALI METAL-ACETONE COMPLEXES
ELECTRON TRANSFER FROM THE METAL ATOM TO THE MOLECULE
 
Hironori Tsunoyama, Keijiro Ohshimo, Yoshihiro Yamakita, Fuminori Misaizu 
and Koichi Ohno

Department of Chemistry, Graduate School of Science, Tohoku University, 
Aramaki, Aoba-ku, Sendai 980-8578, Japan 

Complexes consisting of an alkali metal atom (M) and acetone molecules are 
studied by photoionization mass spectroscopy and by calculations based on 
density functional theory (DFT).  Ionization potentials (IPs) of M(acetone) 
determined experimentally are in good agreement with those obtained from 
calculations.  Electron transfer from the metal atom to the acetone 
molecule is found to be more efficient in the Li complex than in the Na 
complex. This difference is discussed from the atomic and molecular orbital 
point of view.