Electronic Resource
College Park, Md.
:
American Institute of Physics (AIP)
The Journal of Chemical Physics
103 (1995), S. 4907-4913
ISSN:
1089-7690
Source:
AIP Digital Archive
Topics:
Physics
,
Chemistry and Pharmacology
Notes:
Mass resolved excitation spectra of supersonic expansion cooled mono- and diazabenzenes are reported for the low lying Rydberg states. Transitions are located for pyridine, pyrazine, and pyridazine, but not pyrimidine. The Rydberg state lifetimes of these molecules are estimated, based on a Lorentzian line shape analysis, to be ca. 500 fs. Ab initio calculations for pyrazine at the complete active space self-consistent-field (CASSCF) and CASSCF many-body second-order perturbation theory (CASSCF/MBPT2) levels show that extensive configuration interaction and dynamic electron correlation are necessary to account for the excited states of these systems. © 1995 American Institute of Physics.
Type of Medium:
Electronic Resource
URL:
http://dx.doi.org/10.1063/1.470626
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