YANG LIU, LU WU, CHANGHUA ZHANG AND DONG-SHENG YANG, Department of Chemistry, University of Kentucky, Lexington, KY 40506-0055.
Lanthanum dimer (La2) was studied by mass-analyzed threshold ionization (MATI) spectroscopy and a series of high-level multi-configuration ab initio calculations (CASSCF, CASPT2, and MRCI). The MATI spectrum exhibits three band systems originating at 39044, 40312, and 40862 cm-1, respectively. Above the band origin, the first band system displays a vibrational progression of 232 cm-1, and the other two show vibrational progression with the same interval of 240 cm-1. Below the band origin, the three systems exhibit the same vibrational interval of 207 cm-1. These band systems are assigned to three electronic transitions from the ground state of La2 to the low-lying electronic states of La2+: 2 +g 1 +g, 2 u,1/2 1 +g, and 2 u,3/2 1 +g. The spin-orbit splitting in the 2 u ion state is 550 cm-1. In addition, the electronic states and bonding of La2 will be compared with those of Sc2 and Y2.