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Accessibility of the lowest quintet state of organic molecules through triplet-triplet annihilation; an INDO CI study
Dick, Bernhard und Nickel, Bernhard (1983) Accessibility of the lowest quintet state of organic molecules through triplet-triplet annihilation; an INDO CI study. Chemical Physics 78 (1), S. 1-16.Veröffentlichungsdatum dieses Volltextes: 05 Aug 2009 13:50
Artikel
DOI zum Zitieren dieses Dokuments: 10.5283/epub.5526
Zusammenfassung
By the spin-allowed annihilation of two metastable triplet states (triplet-triplet annihilation-TTA) one electronic ground state (S0) and one electronically excited singlet (Si) or triplet (Ti) or quintet (Qk) state are created, provided the sum of the excitation energies of the two metastable triplet states is sufficient for the creation of the particular excited state. On the basis of ...
By the spin-allowed annihilation of two metastable triplet states (triplet-triplet annihilation-TTA) one electronic ground state (S0) and one electronically excited singlet (Si) or triplet (Ti) or quintet (Qk) state are created, provided the sum of the excitation energies of the two metastable triplet states is sufficient for the creation of the particular excited state. On the basis of semi-empirical calcns. of the excitation energies of T1 and Q1 of forty-six conjugated org. compds. it is shown that Q1 of benzene and some other compds. should be accessible through annihilation of like triplets (homo-TTA), and that Q1 of many compds. should be accessible through annihilation of unlike triplets (hetero-TTA). The population of Q1, competing with that of S1, should cause an unusual magnetic-field dependence of the delayed fluorescence S1 -> S0. In favorable cases, the population of Q1 should lead to an inverse (pos.) magnetic high-field effect on the delayed fluorescence.
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| Dokumentenart | Artikel | ||||||
| Titel eines Journals oder einer Zeitschrift | Chemical Physics | ||||||
| Verlag: | Elsevier | ||||||
|---|---|---|---|---|---|---|---|
| Band: | 78 | ||||||
| Nummer des Zeitschriftenheftes oder des Kapitels: | 1 | ||||||
| Seitenbereich: | S. 1-16 | ||||||
| Datum | 1983 | ||||||
| Zusätzliche Informationen (Öffentlich) | CAN 99:121472 22-2 Physical Organic Chemistry 56-55-3; 71-43-2; 83-32-9; 84-65-1; 85-01-8; 86-73-7; 86-74-8; 90-47-1; 91-20-3; 91-22-5; 91-64-5; 92-24-0; 92-52-4; 92-82-0; 92-83-1; 92-94-4; 95-14-7; 103-30-0; 106-51-4; 110-86-1; 119-65-3; 120-12-7; 129-00-0; 132-64-9; 135-48-8; 191-07-1; 195-19-7; 198-55-0; 206-44-0; 208-96-8; 217-59-4; 218-01-9; 222-93-5; 259-79-0; 260-94-6; 275-51-4; 289-80-5; 289-95-2; 290-37-9; 290-87-9; 290-96-0; 781-30-6; 2443-46-1; 14458-51-6; 17064-30-1; 68568-08-1 Role: PRP (Properties) (excitation energies of first excited singlet, triplet, and quintet states of, calcn. of) | ||||||
| Institutionen | Chemie und Pharmazie > Institut für Physikalische und Theoretische Chemie > Chair of Chemistry III - Physical Chemistry (Molecular Spectroscopy and Photochemistry) > Prof. Dr. Bernhard Dick | ||||||
| Identifikationsnummer |
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| Stichwörter / Keywords | Aromatic compounds; Heterocyclic compounds, Role: PRP (Properties) (excitation energies of first excited singlet, triplet, and quintet states of, calcn. of); Molecular orbital (INDO-CI, of org. compds.); Energy level excitation (electronic, of org. compds., accessibility of lowest quintet state of, through triplet-triplet anhilation); org compd lowest quintet state | ||||||
| Dewey-Dezimal-Klassifikation | 500 Naturwissenschaften und Mathematik > 540 Chemie | ||||||
| Status | Veröffentlicht | ||||||
| Begutachtet | Ja, diese Version wurde begutachtet | ||||||
| An der Universität Regensburg entstanden | Nein | ||||||
| URN der UB Regensburg | urn:nbn:de:bvb:355-epub-55260 | ||||||
| Dokumenten-ID | 5526 |
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