π-Complexes of Cu(I) with Alkynes. Synthesis and Crystal Structure of Cs[CuCl2(HOCH2CCCH2OH)] · H2O


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Abstract

Crystals of anionic π-complex Cs[CuCl2(HOCH2CCCH2OH)] · H2O were synthesized by reaction of 2-butyne-1,4-diol with CuCl in a saturated aqueous solution of CsCl at 90°C and studied by X-ray diffraction analysis. The crystals are triclinic (space group P1(bar); a = 10.155(4) Å, b = 7.828(4) Å, c = 7.115(3) Å, α = 102.62(4)°, β = 100.77(3)°, γ = 106.71(4)°, V = 509(1) Å3, Z = 2) and consist of stacks of individual anions [CuCl2(HOCH2CCCH2OH)] and hydrated [Cs · H2O]+ cations between the stacks. The Cu(I) atom has trigonal surrounding of two Cl atoms and the CC bond of 2-butyne-1,4-diol molecule. The Cu-(CC) distance in the π-core is 1.905(8) Å the CC bond is elongated to 1.223(11) Å. In addition to hydrogen bonds O-H…Cl, crystals of the complex also contain O(w)…H-O and O(w)…Cl bonds stabilizing their structure.

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