Articles with "effects aromaticity" as a keyword



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Effects on the aromaticity and on the biradicaloid nature of acenes by the inclusion of a cyclobutadiene linkage

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Published in 2020 at "Theoretical Chemistry Accounts"

DOI: 10.1007/s00214-020-02624-w

Abstract: Biphenylene is a well-characterized compound that includes the union of both aromatic and antiaromatic units: benzene and cyclobutadiene, respectively. In this work, we extend this structural theme to acene analogues with a cyclobutadiene linkage in… read more here.

Keywords: biradicaloid nature; cyclobutadiene; cyclobutadiene linkage; aromaticity biradicaloid ... See more keywords
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Interplay of Steric Effects and Aromaticity Reversals to Expand the Structural/Electronic Responses of Dihydrophenazines.

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Published in 2022 at "Journal of the American Chemical Society"

DOI: 10.1021/jacs.1c12610

Abstract: To gain insights into the coupling of conformational and electronic variables, we exploited steric hindrance to modulate a polycyclic skeleton with a bent conformation in the S0 state and a twisted conformation in the S1… read more here.

Keywords: effects aromaticity; steric effects; interplay steric; dpp dpp ... See more keywords