Please use this identifier to cite or link to this item:
https://hdl.handle.net/10316/102791
DC Field | Value | Language |
---|---|---|
dc.contributor.author | Beja, A. Matos | - |
dc.contributor.author | Paixão, J. A. | - |
dc.contributor.author | Silva, M. Ramos | - |
dc.contributor.author | Veiga, L. Alte da | - |
dc.date.accessioned | 2022-10-13T08:46:23Z | - |
dc.date.available | 2022-10-13T08:46:23Z | - |
dc.date.issued | 2000 | - |
dc.identifier.issn | 2197-4578 | pt |
dc.identifier.issn | 1433-7266 | pt |
dc.identifier.uri | https://hdl.handle.net/10316/102791 | - |
dc.description.abstract | This work is part of a project to study the molecular conformations of diphenylguanidine (dpg) compounds and their optical and dielectric properties. Diphenylguanidine (dpg) is a flexible molecule which can assume different molecular conformations due to the low energy-barrier for rotation of the phenyl rings. In cationic form, stable conformers with the rings positioned syn-syn, anti-anti and syn-anti to the unsubstituted N atom have been observed both in solution and in several salts [1-3]. Two phases of monoclinic and orthorhombic symmetry are known, and in both two symmetry independent molecules are found in the asymmetric unit cell, always adopting syn-anti conformations [4, 5], Ab-initio and Monte Carlo molecular mechanics calculations [6,7] have shown that the equilibrium concentration of the three dpg+ conformers in solution depend to some extent on the counter ion. It was shown that the relative concentration of the anti-anti conformer increases from 7% to 30% in an chlorine acetate salin solution mimicking physiological conditions [7]. | pt |
dc.language.iso | eng | pt |
dc.relation | FCT | pt |
dc.rights | openAccess | pt |
dc.rights.uri | http://creativecommons.org/licenses/by-nc-nd/4.0/ | pt |
dc.title | Crystal structure of AyV'-diphenylguanidinium acetate, C 1 3 H 1 4 N 3 + C 2 H 3 0 2 - | pt |
dc.type | article | - |
degois.publication.firstPage | 579 | pt |
degois.publication.lastPage | 580 | pt |
degois.publication.issue | 4 | pt |
degois.publication.title | Zeitschrift fur Kristallographie - New Crystal Structures | pt |
dc.peerreviewed | yes | pt |
dc.identifier.doi | 10.1515/ncrs-2000-0453 | pt |
degois.publication.volume | 215 | pt |
dc.date.embargo | 2000-01-01 | * |
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 | CFisUC – Center for Physics of the University of Coimbra | - |
crisitem.author.orcid | 0000-0003-1449-5123 | - |
crisitem.author.orcid | 0000-0003-4634-7395 | - |
crisitem.author.orcid | 0000-0001-9555-8856 | - |
Appears in Collections: | FCTUC Física - Artigos em Revistas Internacionais |
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File | Description | Size | Format | |
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Crystal-structure-of-NNdiphenylguanidinium-acetate-Csub13subHsub14subNsub3subsupsupCsub2subH-sub3subOsub2subsupsupZeitschrift-fur-Kristallographie--New-Crystal-Structures.pdf | 387.17 kB | Adobe PDF | View/Open |
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