堆叠共轭低聚物作为分子模型用于研究共轭材料中的链间相互作用。

Stacked conjugated oligomers as molecular models to examine interchain interactions in conjugated materials.

作者信息

Knoblock Kurt M, Silvestri Catherine J, Collard David M

机构信息

School of Chemistry and Biochemistry, Georgia Institute of Technology, Atlanta, Georgia 30332-0400, USA.

出版信息

J Am Chem Soc. 2006 Oct 25;128(42):13680-1. doi: 10.1021/ja063312w.

DOI:10.1021/ja063312w

PMID:17044683

Abstract

Previous studies of the redox states of linear conjugated oligomers as models for polarons and bipolarons in conjugated polymers do not fully address the influence of intermolecular interactions on the electronic structure of conjugated systems in the solid state. Fusion of oligothiophenes onto a bicyclo[4.4.1]undecane core holds the conjugated oligomers in a permanent cofacial stack. One- and two-electron oxidation of the stacked oligomers affords mono(radical cation)s and dications that serve as models for polarons and bipolarons in p-doped conjugated polymers and demonstrates the effect of pi-stacking on the electronic structure of these species.

摘要

以往将线性共轭低聚物的氧化还原态作为共轭聚合物中极化子和双极化子模型的研究，并未充分探讨分子间相互作用对固态共轭体系电子结构的影响。将低聚噻吩融合到双环[4.4.1]十一烷核上，可使共轭低聚物保持永久的共面堆积。对堆积的低聚物进行单电子和双电子氧化，可得到单（自由基阳离子）和双阳离子，它们可作为p型掺杂共轭聚合物中极化子和双极化子的模型，并证明了π-堆积对这些物种电子结构的影响。