Please use this identifier to cite or link to this item:
https://hdl.handle.net/10316/93304
DC Field | Value | Language |
---|---|---|
dc.contributor.author | Domingos, Sérgio R. | - |
dc.contributor.author | Pérez, Cristóbal | - |
dc.contributor.author | Kreienborg, Nora M. | - |
dc.contributor.author | Merten, Christian | - |
dc.contributor.author | Schnell, Melanie | - |
dc.date.accessioned | 2021-03-08T14:25:15Z | - |
dc.date.available | 2021-03-08T14:25:15Z | - |
dc.date.issued | 2021 | - |
dc.identifier.issn | 2399-3669 | - |
dc.identifier.uri | https://hdl.handle.net/10316/93304 | - |
dc.description.abstract | Chiral molecular recognition is a pivotal phenomenon in biomolecular science, governed by subtle balances of intermolecular forces that are difficult to quantify. Non-covalent interactions involving aromatic moieties are particularly important in this realm, as recurring motifs in biomolecular aggregation. In this work, we use high-resolution broadband rotational spectroscopy to probe the dynamic conformational landscape enclosing the self-pairing topologies of styrene oxide, a chiral aromatic system. We reach a definite assignment of four homochiral and two heterochiral dimers using auxiliary quantum chemistry calculations as well as structure-solving methods based on experimental isotopic information. A complete picture of the dimer conformational space is obtained, and plausible routes for conformational relaxation are derived. Molecular structures are discussed in terms of conformational flexibility, the concerted effort of weak intermolecular interactions, and their role in the expression of the molecular fit. | pt |
dc.language.iso | eng | pt |
dc.relation | Projekt DEAL | pt |
dc.rights | openAccess | pt |
dc.rights.uri | http://creativecommons.org/licenses/by/4.0/ | pt |
dc.title | Dynamic chiral self-recognition in aromatic dimers of styrene oxide revealed by rotational spectroscopy | pt |
dc.type | article | pt |
degois.publication.firstPage | 1 | pt |
degois.publication.lastPage | 11 | pt |
degois.publication.issue | 1 | pt |
degois.publication.title | Communications Chemistry | pt |
dc.peerreviewed | yes | pt |
dc.identifier.doi | 10.1038/s42004-021-00468-4 | - |
degois.publication.volume | 4 | pt |
dc.date.embargo | 2021-01-01 | * |
uc.date.periodoEmbargo | 0 | pt |
item.fulltext | Com Texto completo | - |
item.openairecristype | http://purl.org/coar/resource_type/c_18cf | - |
item.languageiso639-1 | en | - |
item.openairetype | article | - |
item.cerifentitytype | Publications | - |
item.grantfulltext | open | - |
crisitem.author.researchunit | CFisUC – Center for Physics of the University of Coimbra | - |
crisitem.author.researchunit | MARE - Marine and Environmental Sciences Centre | - |
crisitem.author.orcid | 0000-0002-7908-9778 | - |
crisitem.author.orcid | 0000-0002-9731-3294 | - |
Appears in Collections: | I&D CFis - Artigos em Revistas Internacionais |
Files in This Item:
File | Description | Size | Format | |
---|---|---|---|---|
Dynamic chiral self-recognition in aromatic dimers of styrene oxide revealed by rotational spectroscopy.pdf | 1.7 MB | Adobe PDF | View/Open |
SCOPUSTM
Citations
5
checked on Nov 11, 2022
WEB OF SCIENCETM
Citations
7
checked on Oct 2, 2024
Page view(s)
179
checked on Oct 16, 2024
Download(s)
117
checked on Oct 16, 2024
Google ScholarTM
Check
Altmetric
Altmetric
This item is licensed under a Creative Commons License