Adiabatic ionization energy and electron affinity of CH[sub 2]Br
Journal Article
·
· Journal of Chemical Physics; (United States)
- Ames Laboratory (United States) Department of Chemistry, Iowa State University, Ames, Iowa 50011 (United States)
- Department of Chemistry, The Chinese University of Hong Kong, Shatin, N. T. (Hong Kong)
The photoionization efficiency spectrum of supersonically cooled CH[sub 2]Br has been measured near its ionization threshold. The adiabatic ionization energy (IE) of CH[sub 2]Br is determined to be 8.61[plus minus]0.01 eV, in excellent agreement with the value obtained previously using the He I photoelectron spectroscopic method. We have also performed Gaussian-2 (G2) calculations on CH[sub 2]Br[sup +], CH[sub 2]Br, and CH[sub 2]Br[sup [minus]] which yield values of 8.47 and 0.97 eV for the IE and electron affinity of CH[sub 2]Br, respectively. The G2 electron affinity is in accord with the literature value of 1.0[plus minus]0.3 eV calculated from the acidity of CH[sub 3]Br.
- DOE Contract Number:
- W-7405-ENG-82
- OSTI ID:
- 6073616
- Journal Information:
- Journal of Chemical Physics; (United States), Journal Name: Journal of Chemical Physics; (United States) Vol. 99:9; ISSN JCPSA6; ISSN 0021-9606
- Country of Publication:
- United States
- Language:
- English
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Related Subjects
664100 -- Theory of Electronic Structure of Atoms & Molecules-- (1992-)
664200 -- Spectra of Atoms & Molecules & their Interactions with Photons-- (1992-)
664400* -- Experimentally Derived Information on Atomic & Molecular Properties-- (1992-)
74 ATOMIC AND MOLECULAR PHYSICS
ADIABATIC PROCESSES
AFFINITY
BEAMS
BROMINATED ALIPHATIC HYDROCARBONS
EFFICIENCY
ELECTRON SPECTROSCOPY
ENERGY
FLUID FLOW
GAUSS POTENTIAL
HALOGENATED ALIPHATIC HYDROCARBONS
IONIZATION POTENTIAL
METHYL BROMIDE
MOLECULAR BEAMS
NUCLEON-NUCLEON POTENTIAL
ORGANIC BROMINE COMPOUNDS
ORGANIC COMPOUNDS
ORGANIC HALOGEN COMPOUNDS
PHOTOELECTRON SPECTROSCOPY
POTENTIALS
SPECTROSCOPY
SUPERSONIC FLOW
THRESHOLD ENERGY
664200 -- Spectra of Atoms & Molecules & their Interactions with Photons-- (1992-)
664400* -- Experimentally Derived Information on Atomic & Molecular Properties-- (1992-)
74 ATOMIC AND MOLECULAR PHYSICS
ADIABATIC PROCESSES
AFFINITY
BEAMS
BROMINATED ALIPHATIC HYDROCARBONS
EFFICIENCY
ELECTRON SPECTROSCOPY
ENERGY
FLUID FLOW
GAUSS POTENTIAL
HALOGENATED ALIPHATIC HYDROCARBONS
IONIZATION POTENTIAL
METHYL BROMIDE
MOLECULAR BEAMS
NUCLEON-NUCLEON POTENTIAL
ORGANIC BROMINE COMPOUNDS
ORGANIC COMPOUNDS
ORGANIC HALOGEN COMPOUNDS
PHOTOELECTRON SPECTROSCOPY
POTENTIALS
SPECTROSCOPY
SUPERSONIC FLOW
THRESHOLD ENERGY