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Solution structure of the palladium(II) complex of 1,4,7,10‐tetrathiacyclododec‐2‐ene‐2,3‐dicarbonitrile
Author(s) -
Holzberger Anja,
Kleinpeter Erich
Publication year - 2004
Publication title -
magnetic resonance in chemistry
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.483
H-Index - 72
eISSN - 1097-458X
pISSN - 0749-1581
DOI - 10.1002/mrc.1378
Subject(s) - chemistry , palladium , coupling constant , stoichiometry , nuclear magnetic resonance spectroscopy , titration , ene reaction , crystallography , carbon 13 nmr satellite , proton nmr , computational chemistry , stereochemistry , fluorine 19 nmr , organic chemistry , physics , particle physics , catalysis
The solution structure of the Pd(II) complex of mn‐12‐S 4 was studied in detail by NMR spectroscopy. The stoichiometry of the complex was determined by 1 H NMR titration experiments. 3 J (H,H) coupling constants were extracted from the 2D J‐resolved NMR spectrum of the complex providing information concerning the S—C—C—S torsional angles. Further conclusions about the conformation of [Pd(mn‐12‐S 4 )](BF 4 ) 2 were drawn from experimental NOEs. The results of the NMR study were corroborated by molecular modelling. Copyright © 2004 John Wiley & Sons, Ltd.
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