Anionic States of LiFLi

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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.

Author(s):
Gutowski, Maciej ; Simons, Jack
Author Organization(s):
UTAH UNIV SALT LAKE CITY DEPT OF CHEMISTRY
Descriptive Note:
Technical rept.
Pagination:
0015

Security Markings

DOCUMENT & CONTEXTUAL SUMMARY

Distribution:
Approved For Public Release
Distribution Statement:
Approved For Public Release; Distribution Is Unlimited.

RECORD

Collection: TR
Identifying Numbers
Report Number(s):
TR-41
Contract/Grant Number(s):
N00014-89-J-1497
Monitor Series:
ONR
 Subject Terms
Communities of Interest:
No COI(s) Identified
Descriptor(s):
*LITHIUM, *ELECTRONIC STATES, *ANIONS, *FLUORIDES, ELECTRONICS, IONS, CATIONS, NEUTRAL, ALKALI METALS, IONIZATION, SPLITTING, SYMMETRY, THERMODYNAMICS, EXCITATION, ENERGY, ATOMS
Field(s)/Group(s):
Physical Chemistry, Polymer Chemistry, Atomic and Molecular Physics and Spectroscopy, Quantum Theory and Relativity
Keyword(s):
AB INITIO, BOUND STATES, VERTICAL DETACHMENT, TRIMERS
Report Date:
1994 Apr 22