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Title

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. CSIC ; Elena, B.; Alkorta, Ibon CSIC ORCID ; Elguero, José CSIC ORCID
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
URIhttp://hdl.handle.net/10261/64531
DOI10.1016/j.jmr.2010.07.015
Identifiersdoi: 10.1016/j.jmr.2010.07.015
issn: 1090-7807
Appears in Collections:(IQM) Artículos

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