CHARGE-TRANSFER EXCITATIONS IN THE PHOTOELECTRON-SPECTRUM OF CL-NH3 -EXPERIMENT AND CALCULATION

Authors
MARKOVICH G CHESHNOVSKY O KALDOR U
Citation
G. Markovich et al., CHARGE-TRANSFER EXCITATIONS IN THE PHOTOELECTRON-SPECTRUM OF CL-NH3 -EXPERIMENT AND CALCULATION, The Journal of chemical physics, 99(8), 1993, pp. 6201-6204
Citations number
30
Categorie Soggetti
Physics, Atomic, Molecular & Chemical
Journal title
The Journal of chemical physics → ACNP
ISSN journal
00219606
Volume
99
Issue
8
Year of publication
1993
Pages
6201 - 6204
Database
ISI
SICI code
0021-9606(1993)99:8<6201:CEITPO>2.0.ZU;2-2
Abstract
A charge transfer (CT) excited state has been identified in the photoe lectron spectrum of Cl-NH3. A narrow band at 4.0 eV binding energy (BE ) is assigned to ionization of Cl-, and a broad band peaking at 6.45+/ -0.15 eV BE corresponds to a CT state, Cl-NH3+. The assignments are co nfirmed by ab initio calculations, yielding binding energies of 3.88 a nd 6.36 eV.