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1.
Chemistry ; 30(43): e202401167, 2024 Aug 01.
Artigo em Inglês | MEDLINE | ID: mdl-38656896

RESUMO

Some planar and non-planar clarenes have been studied using maps of magnetically induced quantum-mechanical current density and tools from differential topology to assess their magnetic response in connection with recent results by Du and Wang. Bond current strengths have been computed to estimate quantitative measures. Isosurfaces of the divergence of induced Lorentz force density have been shown to provide useful additional criteria, especially in the case of non-planar clarenes.

2.
Chemistry ; 24(5): 1036-1040, 2018 Jan 24.
Artigo em Inglês | MEDLINE | ID: mdl-28976041

RESUMO

Triphenylene units stabilize hexacenes as dibenzohexacenes. The hexacenes formed by a statistical Yamamoto coupling of dibromobenzene with dibromo-TIPS-pentacene or, alternatively, Stille coupling with dimethyldibenzostannole. UV/Vis spectroscopy and quantum chemical calculations show that despite the double benzannulation, the species have hexacene-type character, as evidenced by their redshifted absorption characteristics. The charge carrier mobility of dibenzohexacene 1 a was determined up to 0.2 cm2 /(Vs).

3.
Top Curr Chem (Cham) ; 375(6): 83, 2017 Oct 17.
Artigo em Inglês | MEDLINE | ID: mdl-29043575

RESUMO

Reactivity and physical properties of π-conjugated hydrocarbon systems depend predominantly on the topology of π-electrons array. Quinoidal conjugations serve as giving diradical character to molecules, leading to unique chemical behaviors. The simplest member of quinodimethanes are o-, m-, and p-quinodimethanes, which are very reactive due to diradical character and cannot be isolated under normal experimental conditions. However, chemical modifications, such as π-extension or introduction of substituent groups, of quinodimethanes imparts stabilities to quinodimethanes that can be handled under ambient conditions. This chapter offers an overview of reactivity and magnetic properties of benzenoid o-, m-, and p-quinodimethanes.


Assuntos
Benzoatos/química , Metano/química , Quinonas/química , Fenômenos Magnéticos , Estrutura Molecular
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