Accession Number:

ADA278830

Title:

Anionic States of LiFLi

Descriptive Note:

Technical rept.

Corporate Author:

UTAH UNIV SALT LAKE CITY DEPT OF CHEMISTRY

Personal Author(s):

• Gutowski, Maciej
• Simons, Jack

Report Date:

1994-04-22

Pagination or Media Count:

15.0

Abstract:

Our ab initio theoretical calculations indicate that the LiFLi- anion possesses two bound states which are of 1 sigma g and 3 sigma u symmetry and which have vertical detachment energies of 0.94 and 0.89 eV, respectively. The LiFLi cation and the first four electronic states of the neutral LiFLi were also considered. The Renner-Teller splitting for the excited 2 pi u state of the neutral is reported. The neutral and both ions are thermodynamically stable.

Descriptors:

• *LITHIUM
• *ELECTRONIC STATES
• *ANIONS
• *FLUORIDES
• ELECTRONICS
• IONS
• CATIONS
• NEUTRAL
• ALKALI METALS
• IONIZATION
• SPLITTING
• SYMMETRY
• THERMODYNAMICS
• EXCITATION
• ENERGY
• ATOMS

Subject Categories:

• Physical Chemistry
• Polymer Chemistry
• Atomic and Molecular Physics and Spectroscopy
• Quantum Theory and Relativity

Distribution Statement:

APPROVED FOR PUBLIC RELEASE