Please use this identifier to cite or link to this item:
https://hdl.handle.net/10316/112376
DC Field | Value | Language |
---|---|---|
dc.contributor.author | Varandas, A. J. C. | - |
dc.date.accessioned | 2024-01-30T12:51:39Z | - |
dc.date.available | 2024-01-30T12:51:39Z | - |
dc.date.issued | 2023-06-15 | - |
dc.identifier.issn | 1089-5639 | pt |
dc.identifier.issn | 1520-5215 | pt |
dc.identifier.uri | https://hdl.handle.net/10316/112376 | - |
dc.description.abstract | 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. | pt |
dc.language.iso | eng | pt |
dc.publisher | American Chemical Society | pt |
dc.relation | China’s Shandong Province “Double-Hundred Talent Plan” (2018), Coordenação de Aperfeiçoamento de Pessoal de Nível Superior-Brasil (CAPES)-Finance Code 001, Conselho Nacional de Desenvolvimento Científico e Tecnológico (CNPq) | pt |
dc.relation | UIDB/00313/2020 | pt |
dc.rights | openAccess | pt |
dc.rights.uri | http://creativecommons.org/licenses/by/4.0/ | pt |
dc.title | Carbon-[n]Triangulenes and Sila-[n]Triangulenes: Which Are Planar? | pt |
dc.type | article | - |
degois.publication.firstPage | 5048 | pt |
degois.publication.lastPage | 5064 | pt |
degois.publication.issue | 23 | pt |
degois.publication.title | Journal of Physical Chemistry A | pt |
dc.peerreviewed | yes | pt |
dc.identifier.doi | 10.1021/acs.jpca.3c01820 | pt |
degois.publication.volume | 127 | pt |
dc.date.embargo | 2023-06-15 | * |
uc.date.periodoEmbargo | 0 | pt |
item.grantfulltext | open | - |
item.cerifentitytype | Publications | - |
item.languageiso639-1 | en | - |
item.openairetype | article | - |
item.openairecristype | http://purl.org/coar/resource_type/c_18cf | - |
item.fulltext | Com Texto completo | - |
crisitem.author.researchunit | CQC - Coimbra Chemistry Centre | - |
crisitem.author.parentresearchunit | Faculty of Sciences and Technology | - |
crisitem.author.orcid | 0000-0003-1501-3317 | - |
Appears in Collections: | I&D CQC - Artigos em Revistas Internacionais FCTUC Química - Artigos em Revistas Internacionais |
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File | Description | Size | Format | |
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Carbon-nTriangulenes-and-Sila-nTriangulenes-Which-Are-PlanarJournal-of-Physical-Chemistry-A.pdf | 4.93 MB | Adobe PDF | View/Open |
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