Abstract
A dimethylformamide bound mononuclear dioxouranium(VI) salen based complex with propylene linkage is prepared from a salen ligand, H2L, 2,2-(1E,1E)-(2,2-dimethylpropane-1,3-diyl)bis(azanylylidene)bis(methanylylidene)diphenol. The structure of the reported uranyl complex is established by elemental analysis (C, H, N), FT-IR and NMR spectroscopic methods, and single crystal X-ray diffraction measurements. The X-ray diffraction analysis shows that the crystal is monoclinic with space group P21/n (no. 14), a = 7.99198(6) Å, b = 12.14896(9) Å, c = 23.76987(19) Å, β = 97.4163(7)°. Furthermore, to obtain insights into the structure, DFT calculations have been made employing 6-31G (d,p) and GENECP basic sets. The findings obtained from the theoretical calculations are quite close with the results obtained from the experimental data.
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