Computed Properties of C9H11Cu. The fused heterocycle is formed by combining a benzene ring with a single heterocycle, or two or more single heterocycles. Compound: Mesitylcopper(I), is researched, Molecular C9H11Cu, CAS is 75732-01-3, about Carbonylation of a Tetrameric Aryloxocopper(I) Cluster. Author is Lopes, Cesar; Hakansson, Mikael; Jagner, Susan.
Carbonylation of 2,6-diphenylphenoxocopper(I), tetrameric [(CuOC6H3Ph2)4] (1), results in a [{Cu(OC6H3Ph2)(CO)}2] dimer (2). The parent aryl oxide, [(CuOC6H3Ph2)4], which was prepared from mesitylcopper(I) and 2,6-diphenylphenol, has an approx. planar Cu4O4 core, in which Cu(I) is two-coordinated and Cu-O bonds range from 1.834(7) to 1.865(7) Å. Its carbonylation product 2 is a μ2-phenoxo-bridged dimer, containing three-coordinated Cu(I), with longer Cu-O bonds, viz. 1.953(7)-1.995(7) Å. Cu-C bond lengths in 2 are 1.78(1) and 1.79(1) Å, resp., with both carbonyl C-O distances equal to 1.12(1) Å, and Cu-C-O angles of 174(1) and 179(1)°, resp. Carbonyl stretching frequencies in the IR are 2099, 2103, and 2112 cm-1 for the solid and 2102 cm-1 in toluene solution, and the 13C NMR signal (toluene solution) is at 168 ppm. From comparison with other carbonyl complexes of Cu(I), the Cu-C bond is judged to be predominantly of σ character, with minimal metal → ligand π* contribution. Both 1 and 2 retain their aggregation states on dissolution in nonpolar solvents, as ascertained by cryoscopic mol. weight determinations of the compounds in benzene. Crystal data: 1, triclinic, space group P1̅, a 12.738(9), b 22.426(5), and c 9.984(3) Å, α 101.62(2), β 91.02(4), and γ 85.93(3)°, Z = 2, R = 0.052 (Rw = 0.058); 2, triclinic, space group P1̅, a 10.67(3), b 15.72(1), and c 10.05(1) Å, α 96.99(8), β 104.66(16), and γ 101.46(12)°, Z = 2, R = 0.049 (Rw = 0.054).
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Iodide – Wikipedia,
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