Please use this identifier to cite or link to this item:
https://hdl.handle.net/10316/114841
DC Field | Value | Language |
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dc.contributor.author | Silva, Manuela Ramos | - |
dc.contributor.author | Silva, Pedro Pereira da | - |
dc.date.accessioned | 2024-04-15T10:05:03Z | - |
dc.date.available | 2024-04-15T10:05:03Z | - |
dc.date.issued | 2023 | - |
dc.identifier.issn | 2073-4352 | - |
dc.identifier.uri | https://hdl.handle.net/10316/114841 | - |
dc.description.abstract | 5-nitrouracil is a polarizable molecule with a permanent electric dipole moment. Its molecular properties caught the attention of physicists working on nonlinear optics or optoelectronics, but the translation of the molecular assets to the crystalline solid has not been straightforward. This review compares all the known crystal structures incorporating the neutral or ionic 5-nitrouracil, or the two species concomitantly, discussing the effect of the packing in the optimization of the crystalline optical properties. Two new centrosymmetric 5-nitrouracilate salts are also reported for the first time, showing extensive hydrogen bonding between anions and cations. This review also gathers data from nonlinear optical measurements of non-centrosymmetric crystals and thermal stabilities of known polymorphs, showing that a neutral 5-nitrouracil molecule in acentric crystalline environment allows efficient blue-light generation. | pt |
dc.language.iso | eng | pt |
dc.publisher | MDPI | pt |
dc.relation | UIDB/04564/2020 | pt |
dc.relation | UIDP/ 04564/2020 | pt |
dc.rights | openAccess | pt |
dc.rights.uri | http://creativecommons.org/licenses/by/4.0/ | pt |
dc.subject | 5-nitrouracil | pt |
dc.subject | dipolar moment | pt |
dc.subject | crystal engineering | pt |
dc.subject | supramolecular interaction | pt |
dc.subject | hydrogen bond | pt |
dc.subject | non-linear optics | pt |
dc.title | Crystal Engineering to Avoid Pairing Dipolar Moments: The Case of 5-Nitrouracil, a Highly Polarizable Molecule | pt |
dc.type | article | pt |
degois.publication.firstPage | 145 | pt |
degois.publication.issue | 1 | pt |
degois.publication.title | Crystals | pt |
dc.peerreviewed | yes | pt |
dc.identifier.doi | 10.3390/cryst13010145 | - |
degois.publication.volume | 13 | pt |
dc.date.embargo | 2023-01-01 | * |
uc.date.periodoEmbargo | 0 | pt |
item.cerifentitytype | Publications | - |
item.languageiso639-1 | en | - |
item.fulltext | Com Texto completo | - |
item.grantfulltext | open | - |
item.openairecristype | http://purl.org/coar/resource_type/c_18cf | - |
item.openairetype | article | - |
crisitem.author.researchunit | CFisUC – Center for Physics of the University of Coimbra | - |
crisitem.author.orcid | 0000-0001-9555-8856 | - |
crisitem.author.orcid | 0000-0002-6760-4517 | - |
Appears in Collections: | FCTUC Física - Artigos em Revistas Internacionais I&D CFis - Artigos em Revistas Internacionais |
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File | Description | Size | Format | |
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Crystal-Engineering-to-Avoid-Pairing-Dipolar-Moments-The-Case-of-5Nitrouracil-a-Highly-Polarizable-MoleculeCrystals.pdf | 7.37 MB | Adobe PDF | View/Open |
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This item is licensed under a Creative Commons License