Structural and thermodiffractometric analysis of coordination polymers. Part I: tin derivatives of the Bim ligand [Bim = Bis(1-imidazolyl)methane]) |
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Authors: | Masciocchi Norberto Pettinari Claudio Alberti Enrica Pettinari Riccardo Nicola Corrado Di Albisetti Alessandro Figini Sironi Angelo |
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Affiliation: | Dipartimento di Scienze Chimiche e Ambientali, Università dell'Insubria, via Valleggio 11, 22100 Como, Italy. |
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Abstract: | New polynuclear coordination species containing the ditopic bis(1-imidazolyl)methane (Bim) ligand have been prepared as microcrystalline powders and structurally characterized by ab initio X-ray powder diffraction methods. [Bim(Me2SnCl2)]n (1), [Bim(nBu2SnCl2)]n (3), [Bim(Ph2SnCl2)]n (4), [Bim(MeSnCl3)]n (5), and [Bim(PhSnCl3)]n (6) all contain 1D chains with octahedral tin atoms with trans N-Sn-N linkages (but 4, which displays a cis N-Sn-N linkage). Their thermodiffractometric analysis allowed the estimation of the linear thermal expansion coefficients and strain tensors derived there from. The potential-energy surface of the free Bim ligand (as defined by two torsional degrees of freedom about the two N-CH2 bonds), eventually controlling the length of the repeating unit (polymer elongation), has been estimated using molecular mechanics and correlated with experimental observations. |
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