Structural and NMR Studies of the Hexameric Copper(I) Complex withN-n-butyl-N′-ethoxycarbonyl-thioureate

Autor: Gregory Alan Hope, Ronald Woods, Sue E. Boyd, Peter Conrad Healy
Rok vydání: 2008
Předmět:
Zdroj: Zeitschrift für anorganische und allgemeine Chemie. 634:1537-1541
ISSN: 1521-3749
0044-2313
Popis: The copper sulfide mineral flotation collector, N-n-butyl-N′-ethoxycarbonyl-thiourea (H2bectu), and the 1:1 hexameric copper(I) thioureate complex, [Cu(Hbectu)]6, have been characterized by single crystal X-ray diffraction. H2bectu crystallizes in the triclinic space group with a = 5.2754(4), b = 9.0042(7), c = 12.6030(9) A, α = 80.528(6), β = 90.173(6), γ = 76.472(7)°. An intramolecular N-H···O hydrogen bond between the thioamide proton and carbonyl oxygen forms a planar six-membered ring in the central core of the molecule with C=O, C=S and C-N bond lengths in accord with those reported for other N-alkyl/aryl-N′-acyl-thiourea compounds. [Cu(Hbectu)]6 crystallizes in the monoclinic space group C2/c with a = 23.269(5), b = 13.243(4), c = 23.037(7) A, β = 91.81(2)° as discrete hexameric clusters disposed about a crystallographic centre of symmetry with a Cu6S6 core consisting of two Cu3S3 chair-shaped rings linked by coordination of the deprotonated amide nitrogen atom to a copper atom in the adjacent ring. The six ligands assemble as a paddlewheel structure with the ethoxy and n-butyl substituents packing in an alternating head to tail arrangement. Temperature dependent solution 1H NMR spectroscopic studies show that the hexameric structure of the complex is maintained in solution.
Databáze: OpenAIRE
Externí odkaz: