Microwave-assisted synthesis, crystal structures and DFT calculations of two novel silver(I) dimers [Ag-2(mu-X)(2)(mu-dppm)(PPh3)(2)] (X = Br, I) with butterfly-shaped dinuclear cores
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Reactions of Ag4X4(Ph3P)(4) (X = Br, I) with 1,3-bis(diphenylphosphine)methane (dppm) ligand under microwave heating conditions afforded two asymmetric silver(I) dimers of the type [Ag-2(mu-X)(2)(mu-dppm)(PPh3)(2)], X = Br(1), I(2), with butterfly-shaped dinuclear cores. The molecular structures of two compounds have been established by single-crystal X-ray diffraction and satisfactorily calculated by using the PW91 functional considered with the DNP basis set and ECP. (C) 2009 Elsevier B.V. All rights reserved.