English   español  
Please use this identifier to cite or link to this item: http://hdl.handle.net/10261/74223
logo share SHARE logo core CORE   Add this article to your Mendeley library MendeleyBASE

Visualizar otros formatos: MARC | Dublin Core | RDF | ORE | MODS | METS | DIDL | DATACITE
Exportar a otros formatos:


Chiral recognition in phosphinic acid dimers

AuthorsPicazo, O.; Alkorta, Ibon CSIC ORCID; Elguero, José CSIC ORCID; Mó, O.; Yáñez, Manuel
Issue Date2005
PublisherJohn Wiley & Sons
CitationJournal of Physical Organic Chemistry 18: 491- 497 (2005)
AbstractA theoretical study of chiral recognition in the minimum and proton transfer transition state structures of 15 pairs of chiral phosphinic acid dimers was carried out using DFT and MP2 methods, up to the MP2/6-311++G(3df,2p) level. The proton transfer proceeds via a concerted pathway in all cases studied. Even though these complexes show high interaction energies, of the order of 120 kJ mol-1, and short interatomic HB distances, our results show small energy differences between the homochiral (RR or SS) and the heterochiral dimers (RS or SR) both in the equilibrium configuration and in the proton transfer transition state owing to the disposition of the nonoxygen substituents of the phosphorus atom as proved with additional model complexes. Copyright © 2005 John Wiley & Sons, Ltd.
Publisher version (URL)http://dx.doi.org/10.1002/poc.901
Identifiersdoi: 10.1002/poc.901
issn: 0894-3230
e-issn: 1099-1395
Appears in Collections:(IQM) Artículos
Files in This Item:
File Description SizeFormat 
accesoRestringido.pdf15,38 kBAdobe PDFThumbnail
Show full item record
Review this work

Related articles:

WARNING: Items in Digital.CSIC are protected by copyright, with all rights reserved, unless otherwise indicated.