Novel bicyclic hexanuclear copper(I) aggregate: Structure and solid state 31P CPMAS NMR spectra of [(Cu 3L 3) 2] and [Cu(PPh 3) 2L] complexes of N-(diisopropoxythiophosphinyl)- N′-phenylthiourea (HL)

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A new complex of N-thiophosphorylthiourea PhNHC(S)NHP(S)(O iPr) 2 ( HL) of formula [(Cu 3L 3) 2] has been synthesized and characterized by single crystal X-ray diffraction, FT-IR, 1H, 31P NMR in solution and by 31P CPMAS NMR spectroscopy in the solid state. A comparison of the structure and the spectral parameters of [(Cu 3L 3) 2] with those of the mononuclear analogue [Cu(PPh 3) 2L] was performed. In the solid state the aggregate [(Cu 3L 3) 2] represents the first example of a spontaneous “side-by-side” association of two neutral cyclic [Cu 3L 3] moieties using two Cu–S–Cu bridges formed by the sulfur atoms of the PS-groups. The values of the 1 J( 31P– 63,65Cu) and 2 J( 31P– 31P) coupling constants of the [Cu(PPh 3) 2] + moiety in the solid state spectra are reported.