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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…
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Keywords:
biradicaloid nature;
cyclobutadiene;
cyclobutadiene linkage;
aromaticity biradicaloid ... See more keywords
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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…
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Keywords:
effects aromaticity;
steric effects;
interplay steric;
dpp dpp ... See more keywords