Article ID | Journal | Published Year | Pages | File Type |
---|---|---|---|---|
5381155 | Chemical Physics Letters | 2014 | 4 Pages |
Abstract
Sectional view of the adiabatic potential energy surfaces of the eight low-lying 1Σ+ states of LiNC as a function of the internuclear distance, R, between the Li and N atoms, obtained by ab initio calculations. The symmetry of LiNC was maintained in Câv with a Li-N-C linear configuration and the C-N internuclear distance at that of the equilibrium geometry (0.117 nm). The dissociation limits are shown in the figure, and the state index is shown in the inset; the marks represent the adiabatic potential energies calculated, and interpolated with solid lines as guides for eyes. The scheme shows the two dissociation channels of the ground state of Li+ (NCâ) into the ion-pair fragments, Li+ and CNâ, and the neutral fragments, Li and CN.
Related Topics
Physical Sciences and Engineering
Chemistry
Physical and Theoretical Chemistry
Authors
Hisato Yasumatsu, Gwang-Hi Jeung,