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Carbon-[n]Triangulenes and Sila-[n]Triangulenes: Which Are Planar?

[Image: see text] Using our recently suggested concept of a quasi-molecule (“tile”) and, in the case of the planarity here at stake, its generalization to larger than tetratomics, we explain why carbon [n]triangulenes tend to be planar, while hybrids, where just a few or even all a- or b-type carbon...

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Autor principal: Varandas, A. J. C.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: American Chemical Society 2023
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10278145/
https://www.ncbi.nlm.nih.gov/pubmed/37256705
http://dx.doi.org/10.1021/acs.jpca.3c01820
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author Varandas, A. J. C.
author_facet Varandas, A. J. C.
author_sort Varandas, A. J. C.
collection PubMed
description [Image: see text] Using our recently suggested concept of a quasi-molecule (“tile”) and, in the case of the planarity here at stake, its generalization to larger than tetratomics, we explain why carbon [n]triangulenes tend to be planar, while hybrids, where just a few or even all a- or b-type carbon atoms are silicon-substituted (sila-[n]triangulenes), tend to be planar/nonplanar when compared with the unsubstituted carbon-[n]triangulenes. Because other spin states of the parent carbon- and sila-[n]triangulenes tend to correlate with the same tiles, it is conjectured that no structural changes are expected to depend on their spin state. Other polycyclic and sila-compounds are also discussed.
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spelling pubmed-102781452023-06-20 Carbon-[n]Triangulenes and Sila-[n]Triangulenes: Which Are Planar? Varandas, A. J. C. J Phys Chem A [Image: see text] Using our recently suggested concept of a quasi-molecule (“tile”) and, in the case of the planarity here at stake, its generalization to larger than tetratomics, we explain why carbon [n]triangulenes tend to be planar, while hybrids, where just a few or even all a- or b-type carbon atoms are silicon-substituted (sila-[n]triangulenes), tend to be planar/nonplanar when compared with the unsubstituted carbon-[n]triangulenes. Because other spin states of the parent carbon- and sila-[n]triangulenes tend to correlate with the same tiles, it is conjectured that no structural changes are expected to depend on their spin state. Other polycyclic and sila-compounds are also discussed. American Chemical Society 2023-05-31 /pmc/articles/PMC10278145/ /pubmed/37256705 http://dx.doi.org/10.1021/acs.jpca.3c01820 Text en © 2023 The Author. Published by American Chemical Society https://creativecommons.org/licenses/by/4.0/Permits the broadest form of re-use including for commercial purposes, provided that author attribution and integrity are maintained (https://creativecommons.org/licenses/by/4.0/).
spellingShingle Varandas, A. J. C.
Carbon-[n]Triangulenes and Sila-[n]Triangulenes: Which Are Planar?
title Carbon-[n]Triangulenes and Sila-[n]Triangulenes: Which Are Planar?
title_full Carbon-[n]Triangulenes and Sila-[n]Triangulenes: Which Are Planar?
title_fullStr Carbon-[n]Triangulenes and Sila-[n]Triangulenes: Which Are Planar?
title_full_unstemmed Carbon-[n]Triangulenes and Sila-[n]Triangulenes: Which Are Planar?
title_short Carbon-[n]Triangulenes and Sila-[n]Triangulenes: Which Are Planar?
title_sort carbon-[n]triangulenes and sila-[n]triangulenes: which are planar?
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10278145/
https://www.ncbi.nlm.nih.gov/pubmed/37256705
http://dx.doi.org/10.1021/acs.jpca.3c01820
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