Most of the compounds have physiologically active properties, and their biological properties are often attributed to the heteroatoms contained in their molecules, and most of these heteroatoms also appear in cyclic structures. A Journal, Polyhedron called LCu(μ-X)2CuL compounds: An induced cuprophilic interaction, Author is Chen, Peter E.; McNeely, James; Lum, June S.; Gardner, Evan J.; Phillips, Val; Golen, James A.; Rheingold, Arnold L.; Doerrer, Linda H., which mentions a compound: 75732-01-3, SMILESS is [Cu]C1=C(C)C=C(C)C=C1C, Molecular C9H11Cu, Related Products of 75732-01-3.
A trio of dimeric copper(I) complexes of the formula [(Ph3P)Cu(μ-X)2Cu(PPh3)] (X = OC6F5, 1, OC4F9, 2, OCPh(CF3)2, 3) were prepared and characterized by X-ray crystallog., elemental anal., and NMR spectroscopy (1H, 13C, 19F, 31P), as was the monomeric [(cy3P)Cu(OC4F9)] (cy = cyclohexyl, 4). Solution conductivity studies demonstrate that all three new dinuclear compounds, as well as the known [(Ph3P)Cu(μ-OC4H9)2Cu(PPh3)], 2-H, are neutral species in solution and do not rearrange into ion pairs. The fold angle (β) varies among these four dimers and the Cu(I)···Cu(I) distance in the structure of 2, 2.8315(5) Å, is cuprophilic. The Cu(I)···Cu(I) distances for 1, 2-H, and 3 are 3.0533(5), 2.890(2), and 3.0169(6) Å resp. D. functional theory (DFT) calculations were performed on 1, 2, 3, and 2-H, as well as the hypothetical 1-H, and several related models. Five PMe3 models, 1(Me), 1-H(Me), 2(Me), 2-H(Me), and 3(Me) were also studied as well as five monomers [(Me3P)CuX] 1-mon, 1-H(mon), 2-mon, 2-H(mon), and 3-mon to understand the electronic reasons for folding in this group of compounds A Natural Energy Decomposition Anal. (NEDA) indicates that electrostatic stabilizations are the dominant factor governing the strength of interaction between monomeric fragments in 1(Me)-3(Me). NBO anal. reveals that 1(Me) and 1-H(Me) do not display any cuprophilic interactions. The folding angle observed in 2(Me), 2-H(Me), and 3(Me), which is correlated with an increased delocalization from the oxygen 2pz lone pairs, brings the metal centers into sufficient propinquity to have weak Cu···Cu orbital interactions. Weak luminescence behavior at room-temperature is also consistent with these assignments.
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Reference:
Iodide – Wikipedia,
Iodide – an overview | ScienceDirect Topics – ScienceDirect.com