Electronic Resource
College Park, Md.
:
American Institute of Physics (AIP)
The Journal of Chemical Physics
94 (1991), S. 4352-4355
ISSN:
1089-7690
Source:
AIP Digital Archive
Topics:
Physics
,
Chemistry and Pharmacology
Notes:
The collinear reaction of Fe+ (4F) and Fe+ (6D) with H2 leading to FeH+ and H has been studied at the configuration interaction (CI) level of theory, using a relativistic pseudopotential approach. The 6D electronic state of Fe+ reacts with H2 through a very large energy barrier that slightly exceeds the endothermicity of the reaction. The 4F electronic state appears to be much more reactive than the 6D state, in good agreement with the experimental results.
Type of Medium:
Electronic Resource
URL:
http://dx.doi.org/10.1063/1.460622
|
Location |
Call Number |
Expected |
Availability |