화학공학소재연구정보센터
Journal of Physical Chemistry A, Vol.113, No.47, 13379-13382, 2009
Permanent Electric Dipole Moment of Cerium Monoxide
Stark spectra of the [16.5]2-X(1)2 and [16.5]2-X(2)3 transitions of cerium monoxide (CeO) have been obtained at a resolution of similar to 50 MHz. Analysis of the Stark spectra yielded permanent electric dipole moments, mu(el), of 3.119(8), 3.115(7), and 2.119(8) D for the X(1)2, X(2)3, and [16.5]2 states, respectively. The ground X(1)2 state dipole moment is shown to follow the trend shown by other lanthanide oxides. While most ab initio calculations tend to overestimate the ground state dipole moment, the value calculated by using pseudopotentials in which the 4f orbital participates in the chemical bonding (Dolg,M.; Stoll, H.; Preuss, H. THEOCHEM 1991, 231, 243] is in very good agreement with our experimental value.