Formula: C8H12Cl2Pt. The fused heterocycle is formed by combining a benzene ring with a single heterocycle, or two or more single heterocycles. Compound: Dichloro(1,5-cyclooctadiene)platinum(II), is researched, Molecular C8H12Cl2Pt, CAS is 12080-32-9, about Classics Meet Classics: Theoretical and Experimental Studies of Halogen Bonding in Adducts of Platinum(II) 1,5-Cyclooctadiene Halide Complexes with Diiodine, Iodoform, and 1,4-Diiodotetrafluorobenzene. Author is Bulatova, Margarita; Ivanov, Daniil M.; Haukka, Matti.
Complexes of PtX2COD (X = Cl, Br, I; COD = 1,5-cyclooctadiene) were cocrystd. with classical halogen-bond donors (CHI3, I2, and 1,4-diiodotetrafluorobenzene (FIB)), resulting in noncovalently bound supramol. aggregates of various lengths-from heterotrimers to polymers. The influence of halides in the complexes on the geometry and strength of the halogen bond (XB) was studied both exptl. by single-crystal XRD and theor. by quantum chem. methods such as noncovalent interaction plots (NCI-plot), electrostatic potential (ESP) surface anal., and a combination of electron localization function (ELF) and quantum theory of atoms in mols. (QTAIM) analyses. It was shown that strength of XB interactions in the adducts increases in the order CHI3 > FIB > I2. Although halogen bonding was found to be the main preorganizing force in the structures, in the case of FIB adducts a rare Pt···I interaction was involved in addnl. stabilization of the structure. Hence, fine-tuning of halogen bonding can influence the length of the polymer, as well as the strength and directionality of interactions in the adduct. Since Hassel’s already classical work on charge-transfer interactions, halogen bonding has attracted a great deal of attention as a potentially useful instrument to organize mols. Due to the tunability, relative strength, and directionality, halogen bonding has been used as a self-assembly tool in crystal engineering. In this study classics meet classics: classical halogen bond donors XBD (such as mol. iodine, iodoform, and FIB) and classical synthons PtX2COD were used to create metallopolymeric adducts. In the obtained systems the XBD influenced the geometry (1D or 2D) and the length (heterotrimer or polymer) of the adduct. To understand differences among the obtained systems, they were further studied with computational methods, and addnl. stabilizing weak interactions were discovered. Caution: COD is hazardous to health and should be handled with care.
In addition to the literature in the link below, there is a lot of literature about this compound(Dichloro(1,5-cyclooctadiene)platinum(II))Formula: C8H12Cl2Pt, illustrating the importance and wide applicability of this compound(12080-32-9).
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