Cargando…
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...
Autor principal: | |
---|---|
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 |
_version_ | 1785060422954516480 |
---|---|
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. |
format | Online Article Text |
id | pubmed-10278145 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2023 |
publisher | American Chemical Society |
record_format | MEDLINE/PubMed |
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 |
work_keys_str_mv | AT varandasajc carbonntriangulenesandsilantrianguleneswhichareplanar |