Jahn-Teller Couplings and Exciton Models Reveal Origins of Chiroptical Activity in Symmetric Cyclic π-Conjugated Systems.
Sign Up to like & getrecommendations! Published in 2025 at "Journal of chemical theory and computation"
DOI: 10.1021/acs.jctc.5c01306
Abstract: Understanding the origin of chiroptical responses in symmetric cyclic π-conjugated systems is key to advancing their application in optoelectronic and spintronic technologies. Here, we document that such a response is intrinsically nonadiabatic and arises from… read more here.
Keywords: cyclic conjugated; jahn teller; conjugated systems; teller couplings ... See more keywords
Synthesis and Properties of Cyclic π-Conjugated Molecules and Their Dication and Monoradical Cation.
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DOI: 10.1021/acs.orglett.4c02001
Abstract: We synthesized cyclic π-conjugated molecules by double Friedel-Crafts reaction of amino group-substituted 1,2-bis(2-phenylethynyl)benzene with Meldrum's acid derivative. The structures of the cyclic π-conjugated molecules were determined by single-crystal X-ray structure analysis. The oxidation of the… read more here.
Keywords: cyclic conjugated; monoradical cation; synthesis properties; conjugated molecules ... See more keywords
Linear, Non-Conjugated Cyclic and Conjugated Cyclic Paraphenylene under Pressure
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DOI: 10.3390/molecules24193496
Abstract: The n-paraphenylene family comprises chains of phenylene units linked together by C-C bonds that are between single- and double-bonded, and where n corresponds to the number of phenylene units. In this work, we compare the… read more here.
Keywords: non conjugated; cyclic paraphenylene; linear non; cyclic conjugated ... See more keywords