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EnglishThree polymorphic forms of the molybdenum- (VI) complex [MoO2(L)(EtOH)] (1α, 1β, and 1γ) (L2− = 4- methoxy-2-oxybenzaldehyde isonicotinylhydrazonate) were synthesized by the reaction of H2L with the dioxobis- (acetylacetonato)molybdenum(VI) complex, [MoO2(acac)2], in ethanol. Removal of the coordinated ethanol molecule upon grinding or heating led to the solid-state transformation of the polymorphs 1α, 1β, or 1γ into the coordination polymer [MoO2(L)]n (2a). The square inclusion complex [MoO2(L)]4⊃CH2Cl2·4CH2Cl2 (2b⊃CH2Cl2·4CH2Cl2) was obtained by a self-assembly reaction in dichloromethane. Standard Gibbs energies of binding for molybdenum(VI) compounds [MoO2(L)(D)] with the sixth coordination site occupied by a nitrogen or an oxygen donor D were estimated using quantum chemical calculations. Crystal and molecular structures of the molybdenum(VI) compounds [MoO2(L)(EtOH)] (1α, 1β, and 1γ), [MoO2(L)]4⊃CH2Cl2·4CH2Cl2 (2b⊃CH2Cl2·4CH2Cl2), [MoO2(L)(γ-pic)]·γ-pic (3·γ-pic), [MoO2(L)(py)] (4), and [MoO2(L)(DMSO)] (5) were determined by the single crystal X-ray diffraction method. The compounds were further characterized by chemical analysis, thermogravimetric, and differential scanning calorimetry measurements, IR, UV−vis, one- and two-dimensional NMR spectroscopies, and the powder X-ray diffraction method.
| Titolo: | Three Polymorphic Forms of a Monomeric Mo(VI) Complex: Building Blocks for Two Metal-Organic Supramolecular Isomers. Intermolecular Interactions and Ligand Substituent Effects | |
| Autori: | ||
| Data di pubblicazione: | 2013 | |
| Rivista: | ||
| Abstract: | Three polymorphic forms of the molybdenum- (VI) complex [MoO2(L)(EtOH)] (1α, 1β, and 1γ) (L2− = 4- methoxy-2-oxybenzaldehyde isonicotinylhydrazonate) were synthesized by the reaction of H2L with the dioxobis- (acetylacetonato)molybdenum(VI) complex, [MoO2(acac)2], in ethanol. Removal of the coordinated ethanol molecule upon grinding or heating led to the solid-state transformation of the polymorphs 1α, 1β, or 1γ into the coordination polymer [MoO2(L)]n (2a). The square inclusion complex [MoO2(L)]4⊃CH2Cl2·4CH2Cl2 (2b⊃CH2Cl2·4CH2Cl2) was obtained by a self-assembly reaction in dichloromethane. Standard Gibbs energies of binding for molybdenum(VI) compounds [MoO2(L)(D)] with the sixth coordination site occupied by a nitrogen or an oxygen donor D were estimated using quantum chemical calculations. Crystal and molecular structures of the molybdenum(VI) compounds [MoO2(L)(EtOH)] (1α, 1β, and 1γ), [MoO2(L)]4⊃CH2Cl2·4CH2Cl2 (2b⊃CH2Cl2·4CH2Cl2), [MoO2(L)(γ-pic)]·γ-pic (3·γ-pic), [MoO2(L)(py)] (4), and [MoO2(L)(DMSO)] (5) were determined by the single crystal X-ray diffraction method. The compounds were further characterized by chemical analysis, thermogravimetric, and differential scanning calorimetry measurements, IR, UV−vis, one- and two-dimensional NMR spectroscopies, and the powder X-ray diffraction method. | |
| Handle: | http://hdl.handle.net/11368/2720285 | |
| Digital Object Identifier (DOI): | http://dx.doi.org/10.1021/cg400782c | |
| Appare nelle tipologie: | 1.1 Articolo in Rivista |
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