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http://hdl.handle.net/10261/64159
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dc.contributor.author | Del Bene, Janet E. | - |
dc.contributor.author | Alkorta, Ibon | - |
dc.contributor.author | Elguero, José | - |
dc.date.accessioned | 2013-01-15T14:39:53Z | - |
dc.date.available | 2013-01-15T14:39:53Z | - |
dc.date.issued | 2011 | - |
dc.identifier | doi: 10.1016/j.cplett.2011.03.085 | - |
dc.identifier | issn: 0009-2614 | - |
dc.identifier.citation | Chemical Physics Letters 508: 6- 9 (2011) | - |
dc.identifier.uri | http://hdl.handle.net/10261/64159 | - |
dc.description.abstract | Ab initio calculations have been carried out to investigate the structures, binding energies, and spin-spin coupling constants of complexes with FCl as the Lewis acid and a series of sp, sp2, and sp3 hybridized nitrogen bases. These properties indicate that neutral complexes are stabilized by traditional F-Cl⋯N halogen bonds, although the chlorine-shared character of the bond is greater with sp2 and sp3 bases. Thus, these complexes are dramatically different from neutral complexes FCl:CNX with sp hybridized carbon bases, which exhibit traditional, chlorine-shared, and ion-pair halogen bonds. © 2011 Elsevier B.V. All rights reserved. | - |
dc.language.iso | eng | - |
dc.publisher | Elsevier | - |
dc.rights | closedAccess | - |
dc.title | Do nitrogen bases form chlorine-shared and ion-pair halogen bonds? | - |
dc.type | artículo | - |
dc.identifier.doi | 10.1016/j.cplett.2011.03.085 | - |
dc.relation.publisherversion | http://dx.doi.org/10.1016/j.cplett.2011.03.085 | - |
dc.date.updated | 2013-01-15T14:39:53Z | - |
dc.description.version | Peer Reviewed | - |
dc.type.coar | http://purl.org/coar/resource_type/c_6501 | es_ES |
item.cerifentitytype | Publications | - |
item.openairecristype | http://purl.org/coar/resource_type/c_18cf | - |
item.grantfulltext | none | - |
item.openairetype | artículo | - |
item.fulltext | No Fulltext | - |
item.languageiso639-1 | en | - |
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accesoRestringido.pdf | 15,38 kB | Adobe PDF | Visualizar/Abrir |
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