Electronic Spectra and Crystal Structure of Organic Radical Salt: Dimethyldibenzotetrathiafulvalenium Tetrafluoroborate
| Autor: | Chuji Katayama, Chizuko Tanaka, Karlheinz Dietz, Masashi Tanaka, Jiro Tanaka |
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| Rok vydání: | 1983 |
| Předmět: | |
| Zdroj: | Bulletin of the Chemical Society of Japan. 56:405-411 |
| ISSN: | 1348-0634 0009-2673 |
| DOI: | 10.1246/bcsj.56.405 |
| Popis: | The single crystal of dimethyldibenzotetrathiafulvalenium tetrafluoroborate (1 : 1) has been prepared by electrocrystallization. The crystal structure has been determined by X-ray crystal analysis. The salt crystallizes in Ibam with a=14.637(3), b=17.625(6), c=13.614(3) A. The radical cations align along the c axis at nearly equal spacing forming eclipsed dimers and the dimeric units are stacked with a staggered mode. The electronic spectra of the radical cation and the dimer have been measured in solution and the assignment has been presented with an aid of the MO calculation by Pariser-Parr-Pople method. A charge transfer (CT) band observed in the dimer has been correlated with the charge resonance of unpaired electron between the HOMOs of the radical cations. Polarized reflection spectra of single crystal have been measured with three different crystal planes and the assignment of both the CT and molecular type bands have been confirmed with polarization measurement. The energy and the intensity of the... |
| Databáze: | OpenAIRE |
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