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演　題	「Delocalization and Localization of Excitons and Polarons in Oligosilanes」
日　時	2014年10月29日(水) 16:00
講演者	Josef Michl教授 (University of Colorado at Boulder, USA Institute of Organic Chemistry and Biochemistry ASCR, Czech Republic)
場　所	分子科学研究所　研究棟2階　201号室
概　要	Sigma conjugation in peralkylated oligosilanes is strongly dependent on chain conformation. In extended chains of 8 - 16 Si atoms, singlet excitons are fully delocalized, whereas in chains of 6 and fewer Si atoms, they are localized on a single Si-Si bond or even just a single Si atom (Si7Me16 can behave either way, depending on conformational details). The structure of the localized excitons is calculated to be highly unusual, with five active orbitals on a single Si atom. Positive and negative polarons have been examined as well; e.g., Si4Me10(.-) has 30 conformers, arranged in 15 enentiomeric pairs. In some of these, the negative polaron is localized on a single Si atom.
その他	共催：自然科学における階層と全体
お問合せ先	江原正博、斉藤真司

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