English   español  
Please use this identifier to cite or link to this item: http://hdl.handle.net/10261/64531
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:


15N-15N spin-spin coupling constants through intermolecular hydrogen bonds in the solid state

AuthorsClaramunt, Rosa M.; Pérez-Torralba, M.; María, D.S; Sanz, D. ; Elena, B.; Alkorta, Ibon ; Elguero, José
Issue Date2010
PublisherAcademic Press
CitationJournal of Magnetic Resonance 206: 274- 279 (2010)
AbstractA 2hJNN intermolecular spin-spin coupling constant (SSCC) of 10.2 ± 0.4 Hz has been measured for the powdered tetrachlorogallate salt of pyridinium solvated by pyridine (pyridine-H +⋯pyridine cation 3). Density Functional Theory (DFT) calculations at the B3LYP/6-311++G(d, p) level reproduced this value and two others reported in the literature for 2hJ intermolecular SSCCs, which were measured for complexes in solution. © 2010 Elsevier Inc. All rights reserved.
Publisher version (URL)http://dx.doi.org/10.1016/j.jmr.2010.07.015
Identifiersdoi: 10.1016/j.jmr.2010.07.015
issn: 1090-7807
Appears in Collections:(IQM) Artículos
Files in This Item:
File Description SizeFormat 
accesoRestringido.pdf15,38 kBAdobe PDFThumbnail
Show full item record
Review this work

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