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Quantum confinement induced collapse of a large to a small radius self‐trapped exciton in a permethylated polysilane chain
Author(s) -
Raymond Mary K.,
Michl Josef
Publication year - 1999
Publication title -
international journal of quantum chemistry
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.484
H-Index - 105
eISSN - 1097-461X
pISSN - 0020-7608
DOI - 10.1002/(sici)1097-461x(1999)72:4<361::aid-qua20>3.0.co;2-a
Subject(s) - exciton , chemistry , radius , excited state , relaxation (psychology) , molecular physics , singlet state , semiconductor , atomic physics , condensed matter physics , physics , quantum mechanics , computer security , computer science , psychology , social psychology
Low‐temperature absorption and fluorescence spectra of a series of permethylated oligosilanes Si n Me 2 n +2 in their all‐ anti form permits the identification of Si 7 Me 16 as the shortest chain capable of supporting a large‐radius exciton in its relaxed lowest singlet excited state, while Si 6 Me 14 and shorter chains only carry small‐radius self‐trapped excitons. The following approximate one‐dimensional semiconductor characteristics are derived from the data: exciton band half‐width, ∼3.0 eV; lattice relaxation energy, ∼1.8 eV; and exciton–phonon coupling constant in the infinite chain, ∼0.6. ©1999 John Wiley & Sons, Inc. Int J Quant Chem 72: 361–367, 1999