Suppr超能文献

星型芴分子的光激发。

Optical excitations in star-shaped fluorene molecules.

机构信息

Organic Semiconductor Centre, SUPA, School of Physics and Astronomy, University of St. Andrews, North Haugh, St. Andrews, Fife, KY16 9SS, United Kingdom.

出版信息

J Phys Chem A. 2011 Apr 14;115(14):2913-9. doi: 10.1021/jp1109042. Epub 2011 Mar 23.

Abstract

A detailed study of the low-energy optical transitions in two families of star-shaped molecules is presented. Both families have 3-fold rotational symmetry with oligofluorene arms attached to a central core. In one family, the core of the molecule is a rigid meta-linked truxene, while the other is a meta-linked benzene moiety. The low-energy transitions were studied both experimentally and using time-dependent density functional theory (TD-DFT). The optical transitions of these new star-shaped molecules were compared with corresponding linear oligofluorenes. Both families of star-shaped molecules showed higher absorption and fluorescence dipoles and photoluminescence quantum yields than straight chain oligofluorenes. TD-DFT calculations show that absorption takes place across the entire molecule, and after excited state relaxation, the emission results from a single arm. In both theory and experiment the transition dipole moments show an approximate n(0.5) dependence on the number of fluorene units in each arm.

摘要

本文详细研究了两类星型分子的低能光学跃迁。这两类分子都具有 3 重旋转对称性,其寡聚芴臂连接到中心核上。在一类分子中,分子的核是刚性的间位连接的三芴,而另一类则是间位连接的苯部分。通过实验和含时密度泛函理论(TD-DFT)研究了低能跃迁。将这些新型星型分子的光学跃迁与相应的线性寡聚芴进行了比较。这两类星型分子的吸收和荧光偶极矩以及光致发光量子产率都高于直链寡聚芴。TD-DFT 计算表明,吸收发生在整个分子上,在激发态弛豫后,发射来自单个臂。在理论和实验中,跃迁偶极矩都近似地与每个臂中的芴单元数的 n(0.5) 次方成正比。

文献AI研究员

20分钟写一篇综述,助力文献阅读效率提升50倍。

立即体验

用中文搜PubMed

大模型驱动的PubMed中文搜索引擎

马上搜索

文档翻译

学术文献翻译模型,支持多种主流文档格式。

立即体验