The Mixing of Frenkel and Charge‐Transfer Excited States. II. Numerical Treatment of Non‐Symmetric Dimers

The mixing of Frenkel and charge-transfer excitations is discussed for singlet excitions in a dimer consisting of inequivalent molecules. Depending on the parameter values of the system a more or less rapid crossover of the lowest eigenstate between a predominant Frenkel and a predominant charge-transfer excitation is observed if one of the system parameters is varied. The case of singlet excitons in anthracene/TCNB is explicitly considered. Das Mischen von Frenkel- und Charge-Transfer-Anregungen wird fur Singulettexzitonen in einem aus verschiedenen Molekulen bestehenden Dimer diskutiert. Abhangig von den Werten der Systemparameter beobachtet man fur den niedrigsten Eigenzustand einen mehr oder weniger schnellen Umschlag zwischen einer uberwiegenden Frenkel- und einer uberwiegenden Charge-Transfer-Anregung, wenn einer der Systemparameter geandert wird. Der Fall von Singulettexzitonen in Anthracen/TCNB wird explizit betrachtet.

[1]  P. Reineker,et al.  The Mixing of Frenkel and Charge-Transfer Excited States I. General Treatment of Singlet and Triplet Excitations and Analytic Solutions of Simple Models , 1984 .

[2]  P. Reineker,et al.  On the theory of singlet and triplet charge-transfer excitons , 1983 .

[3]  H. Haken,et al.  Organic Molecular Aggregates , 1983 .

[4]  V. M. Kenkre.  The master equation approach: Coherence, energy transfer, annihilation, and relaxation , 1982 .

[5]  P. Reineker.  Stochastic liouville equation approach: Coupled coherent and incoherent motion, optical line shapes, magnetic resonance phenomena , 1982 .

[6]  V. H. Smith,et al.  Triplet exciton mobilities in weak donor-acceptor complexes , 1981 .

[7]  P. Petelenz.  Mixing of Frenkel Excitons and Ionic Excited States in a Linear Crystal of Donor-Acceptor Complex. II. ADA-Type Complexes† , 1980 .

[8]  P. Petelenz.  Mixing of frenkel excitons and ionic excited states in a linear crystal of donor-acceptor complex , 1979 .

[9]  H. Möhwald,et al.  Orientational phase transition in a charge-transfer crystal: Triplet excitons as probes for lattice dynamics , 1978 .

[10]  P. Petelenz.  Mixing of frenkel excitons and ionic excited states of a linear molecular crystal with two molecules in the unit cell I. General model , 1976 .

[11]  H. Möhwald,et al.  High resolution esr experiments to determine the electron distribution in charge-transfer triplet states , 1976 .

[12]  Z. Soos.  Theory of π-Molecular Charge-Transfer Crystals , 1974 .

[13]  E. Sackmann,et al.  Mobile charge-transfer triplet excitons in biphenyl-tetracyanobenzene single crystals , 1973 .