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Coherent Motion of Triplet Excitons in Molecular Crystals with Two Differently Oriented Molecules per Unit Cell. Application to the Charge Transfer Crystal Anthracene/Tetracyanobenzene
Author(s) -
Schmid U.,
Reineker P.
Publication year - 1982
Publication title -
physica status solidi (b)
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.51
H-Index - 109
eISSN - 1521-3951
pISSN - 0370-1972
DOI - 10.1002/pssb.2221090129
Subject(s) - zeeman effect , anthracene , exciton , crystal (programming language) , molecule , hamiltonian (control theory) , excitation , triplet state , anisotropy , molecular physics , condensed matter physics , magnetic field , spin (aerodynamics) , physics , chemistry , quantum mechanics , thermodynamics , mathematical optimization , mathematics , computer science , programming language
The dynamics of triplet Frenkel excitons moving coherently in a molecular crystal is investigated by a model calculation. The model assumes that the crystal has two differently oriented molecules per unit cell and that the interaction between the molecules in different crystal directions is strongly anisotropic. The Hamiltonian of the model consists of an electronic and a spin part. The first part contains the excitation energy of the electron‐hole pair and the interaction matrix element for the coherent exciton transport. The second part comprises the Zeeman energy of the triplet spin and the fine‐structure terms of the differently oriented molecules. The eigenvalue problem is solved for parameters of anthracene/tetracyanobenzene in the case of zero and high magnetic fields. In zero field the experimentally observed doublet structure of the ODMR lines can be explained, in high field especially the ESR line positions for several orientations of the crystal in the field are discussed.