Singlet Fission and Excimer Formation in Disordered Solids of Alkyl-Substituted 1,3-Diphenylisobenzofurans,The Journal of Physical Chemistry A

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Singlet Fission and Excimer Formation in Disordered Solids of Alkyl-Substituted 1,3-Diphenylisobenzofurans
The Journal of Physical Chemistry A ( IF 2.7 ) Pub Date : 2017-11-03 00:00:00 , DOI: 10.1021/acs.jpca.7b07362
Paul I. Dron ₁ , Josef Michl _{1,

2} , Justin C. Johnson ₃

Affiliation

We describe the preparation and excited state dynamics of three alkyl derivatives of 1,3-diphenylisobenzofuran (1) in both solutions and thin films. The substitutions are intended to disrupt the slip-stacked packing observed in crystals of 1 while maintaining the favorable energies of singlet and triplet for singlet fission (SF). All substitutions result in films that are largely amorphous as judged by the absence of strong X-ray diffraction peaks. The films of 1 carrying a methyl in the para position of one phenyl ring undergo SF relatively efficiently (≥75% triplet yield, Φ_T) but more slowly than thin films of 1. When the methyl is replaced with a t-butyl, kinetic competition in the excited state favors excimer formation rather than SF (Φ_T = 55%). When t-Bu groups are placed in both meta positions of the phenyl substituent, SF is slowed further and Φ_T = 35%.

中文翻译：

烷基取代的1,3-二苯基异苯并呋喃的无序固体中的单重态裂变和准分子形成

我们描述了溶液和薄膜中1,3-二苯基异苯并呋喃（1）的三种烷基衍生物的制备和激发态动力学。取代旨在破坏在1的晶体中观察到的粉滑堆积堆积，同时保持单线态裂变（SF）的单线态和三线态的有利能量。通过不存在强的X射线衍射峰可以判断，所有取代均会导致薄膜大部分为非晶态。的膜1在一个苯基环的对位上带有甲基经受SF相对有效（≥75％三重收率，Φ _Ť），但比更慢的薄膜1。当甲基被t取代时丁基，处于兴奋状态动力学竞争有利于形成受激准分子，而不是SF（Φ _Ť = 55％）。当吨-Bu组被放置在苯基取代基的两个间位，SF被减慢进一步和Φ _Ť = 35％。

更新日期：2017-11-05

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