화학공학소재연구정보센터
Chemical Physics Letters, Vol.326, No.1-2, 80-86, 2000
Ab initio investigation on the valence and dipole-bound states of CNa-and SiNa-
CNa- and SiNa- have been studied by the CAS-ACPF method. The (3)Sigma(-) ground states have binding energies of 5420 and 7517 cm(-1), respectively. The 52- excited states are 494 and 1551 cm(-1) above the respective ground states. The (1)Delta, (II)-I-3, and (II)-I-1 valence-excited states for SiNa- should be at least metastable. CNa- and SiNa- possess dipole-bound (5)Sigma(-) and (3)Sigma(-) states. Binding energies of these states in CNa- are 217 and 236 cm(-1), respectively. SiNa- has two stable (5)Sigma(-) dipole-bound states, whose binding energies are 246 and 118 cm(-1), respectively.