Use of Modern Electron Transfer Theories To Determine Electronic Coupling Matrix Elements in Intramolecular Systems
| العنوان: | Use of Modern Electron Transfer Theories To Determine Electronic Coupling Matrix Elements in Intramolecular Systems |
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| المؤلفون: | David N. Beratan, David H. Waldeck, Matthew B. Zimmt, Krishna Kumar, Igor V. Kurnikov |
| المصدر: | ResearcherID |
| بيانات النشر: | American Chemical Society (ACS), 1998. |
| سنة النشر: | 1998 |
| مصطلحات موضوعية: | Coupling, Chemistry, Semiclassical physics, Acceptor, Symmetry (physics), Condensed Matter::Materials Science, Electron transfer, Chemical physics, Intramolecular force, Molecule, Physics::Chemical Physics, Physical and Theoretical Chemistry, Atomic physics, Topology (chemistry) |
| الوصف: | The dependence of the donor/acceptor electronic coupling on the topology of donor−bridge−acceptor (DBA) molecules is probed experimentally and theoretically. The temperature dependence of photoinduced electron-transfer rate constants is analyzed with a semiclassical electron-transfer model to extract the donor/acceptor electronic coupling matrix elements |V| and the low-frequency reorganization energy at 295 K, λo(295 K), for four rigid DBA molecules. The sensitivity of the electronic coupling |V| to the models and parameters used to fit the data are extensively investigated. The treatment of the low-frequency reorganization energy's temperature dependence has a significant impact on the analysis. The identity of the principal coupling pathways is determined for molecular linkages that propagate symmetry allowed donor/acceptor interactions and molecular linkages that propagate symmetry forbidden donor/acceptor interactions. For the symmetry forbidden case, these analyses demonstrate that solvent molecules... |
| تدمد: | 1520-5215 1089-5639 |
| DOI: | 10.1021/jp980113t |
| URL الوصول: | https://explore.openaire.eu/search/publication?articleId=doi_dedup___::b57cd88b2afd8adf1a0d8cac8003ed6b https://doi.org/10.1021/jp980113t |
| رقم الانضمام: | edsair.doi.dedup.....b57cd88b2afd8adf1a0d8cac8003ed6b |
| قاعدة البيانات: | OpenAIRE |
| تدمد: | 15205215 10895639 |
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| DOI: | 10.1021/jp980113t |