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- W2073476601 abstract "1,4,7-Trithiacyclononane ([9]aneS3) reacts with molecular diiodine in CH2Cl2 to form a 1:1 adduct. The formation constant and the thermodynamic parameters of this adduct have been determined by UV-visible spectra of several solutions at the temperatures of 15, 20, 25, 30, and 35°C. The 13C NMR spectra show that adducts with higher ligand/diiodine molar ratios are formed. Two neutral charge-transfer molecular compounds having formula 2[9]aneS3 · 4I2 (I) and [9]aneS3 · 3I2 · (II) have been obtained as crystals. The crystals of I are triclinic (a = 8.498(2) Å, b = 13.984(4) Å, c = 14.898(6) Å, α = 65.57(2)°, γ = 89.19(2)°, γ = 81.26(2)°, Z = 2, space group P1; R = 0.025) and contain units formed by two [9]aneS3 molecules connected by a diiodine molecule; one [9]aneS3 binds two other diiodine molecules, while the second binds only one other diiodine molecule. The crystals of II are monoclinic (a = 13.810(2) Å, b = 9.829(4) Å, c = 16.198(6) Å, β = 113.41(2)°, Z = 4, space group P21/c; R = 0.019) and contain molecules of [9]aneS3 binding three diiodine molecules. FT-Raman spectra in the characteristic v(I–I) region, carried out on the solid adducts, are discussed in comparison with the structural parameters." @default.
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- W2073476601 date "1993-12-01" @default.
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- W2073476601 title "Spectroscopic studies and X-ray crystal structures of charge-transfer complexes of 1,4,7-trithiacyclononane with diiodine" @default.
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- W2073476601 doi "https://doi.org/10.1002/hc.520040609" @default.
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