Molecular photochemistry. XL. Determination of the reactivity of first excited singlet states of organic compounds toward unimolecular primary photochemical processes from molecular fluorescence characteristics. Application to intramolecular .gamma.-hydrogen abstraction reactions of alkyl ketones

1971 ◽  
Vol 93 (15) ◽  
pp. 3569-3570 ◽  
Author(s):  
J. C. Dalton ◽  
N. J. Turro
1987 ◽  
Vol 109 ◽  
Author(s):  
Paul Tavan ◽  
Klaus Schulten

ABSTRACTWe apply the Pariser-Parr-Pople Hamiltonian to study many-electron excitations in polyenes and polyacetylene. The excited singlet states of polyenes, calculated by a multireference double excitation expansion, are classified as quasi-particle excitations, namely as triplet-triplet magnons and particle-hole excitons. From finite polyene spectra we derive approximate dispersion relations for these quasi-particles in the infinite polyene, i.e. polyacetylene.


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