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A monomeric imidazol-2-ylidene-silver(I) chloride complex: Synthesis, structure, and solid state Ag-109 and C-13 CP/MAS NMR characterization

Ramnial, T. and Abernethy, C.D. and Spicer, M.D. and McKenzie, I.D. and Gay, I.D. and Clyburne, J.A.C. (2003) A monomeric imidazol-2-ylidene-silver(I) chloride complex: Synthesis, structure, and solid state Ag-109 and C-13 CP/MAS NMR characterization. Inorganic Chemistry, 42 (5). pp. 1391-1393. ISSN 0020-1669

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Abstract

The structure of 1,3-bis(2,4,6-trimethylphenyl)-imidazol-2-ylidene-silver(I) chloride, 1, has been determined to be a monomer with weak head-to-tail H...Cl interactions in the solid state. A multinuclear NMR study using a C-13(carbene) labeled derivative, 1(C-13), exhibits C-13-Ag-107,Ag-109 coupling in solution. Further, the solid state CP/MAS NMR parameters, including the principal components of the chemical shift tensors for both the C-13 and Ag-109 centers, have been determined. With the aid of DFT calculations, the orientation of the chemical shift tensors have been assigned.