T. Fiebig et al., ELECTRONIC INTERACTION AND CHARGE-TRANSFER EFFICIENCIES IN TRIAROMATIC DONOR-ACCEPTOR SYSTEMS - AN EXPERIMENTAL AND THEORETICAL-STUDY, Chemical physics letters, 282(1), 1998, pp. 7-15
To address the issue of electronic interaction between donor (D) and a
cceptor (A) moieties in intramolecular charge transfer reactions a ser
ies of chemically closely related extended pi-systems has been investi
gated, These compounds contain pyrene and organic methyl ester derivat
ives connected via a phenyl group. Our steady-state fluorescence studi
es reveal that only particular compounds exhibit strong charge transfe
r (CT) emission in solution. To elucidate the experimental results we
have performed semiempirical CNDO/S-CI calculations which indicate tha
t the electronic coupling and Coulomb stabilization of the CT state ar
e strongly dependent on the nodal properties of the D/A orbitals. (C)
1998 Elsevier Science B.V.