Solution structure of the palladium(II) complex of 1,4,7,10-tetrathiacyclododec-2-ene-2,3-dicarbonitrile |
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| Authors: | Holzberger Anja Kleinpeter Erich |
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| Institution: | Chemisches Institut der Universit?t Potsdam, P.O. Box 69 15 53, D-14415 Potsdam, Germany. |
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| Abstract: | The solution structure of the Pd(II) complex of mn-12-S4 was studied in detail by NMR spectroscopy. The stoichiometry of the complex was determined by 1H NMR titration experiments. 3J(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-S4)](BF4)2 were drawn from experimental NOEs. The results of the NMR study were corroborated by molecular modelling. |
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| Keywords: | NMR 1H NMR 13C NMR vicinal H H coupling constants NOE maleonitrile tetrathia crown ether Pd(II) complex preferred conformation molecular modelling |
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