科研之友
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摘要
Our high-level ab initio calculations show that the ZnCl2+ ground state of (2)Pi symmetry is metastable with a bond length of 2.242 angstrom, an effective dissociation energy of 1.66 eV, and an adiabatic double ionization energy of ZnCl of 26.11 eV. Potential energy curves for 18 Lambda + S states and ten X states of ZnCl2+ are presented as well as the associated spectroscopic constants. Tunneling lifetimes, spin-orbit induced predissociation lifetimes and radiative lifetimes for the vibrational levels in the low-lying electronic states of ZnCl2+ are determined and the metastability of the dication is discussed.
- 出版日期2014-9-30
