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在给体-受体芴基亚乙烯基丙二腈与芴酮中工程前沿能级。

Engineering frontier energy levels in donor-acceptor fluoren-9-ylidene malononitriles versus fluorenones.

机构信息

Department of Chemistry, University of Massachusetts , Amherst, Massachusetts 01003 United States.

出版信息

J Phys Chem A. 2014 Jan 16;118(2):475-86. doi: 10.1021/jp407854r. Epub 2013 Dec 30.

DOI:10.1021/jp407854r
PMID:24377327
Abstract

Donor-acceptor molecules incorporating fluoren-9-ylidene malononitrile acceptor units conjugated to trimethoxystyrene and/or diarylamine donor units were synthesized, and their electronic spectral properties and electrochemical behaviors were evaluated by comparison to those of the analogous fluorenones. Frontier energy level and optical transition energy trends are explained based on a quantitative, modular donor-acceptor interaction model. A connectivity effect on absorption transition moment strength is also described.

摘要

合成了包含芴-9-亚基丙二腈受体单元与三甲氧基苯乙烯和/或二苯胺供体单元的给体-受体分子,并通过与类似的芴酮进行比较来评估它们的电子光谱性质和电化学行为。基于定量的、模块化的给体-受体相互作用模型,解释了前沿能级和光跃迁能趋势。还描述了连接性对吸收跃迁矩强度的影响。

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