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 P2(1)/n (no. 14), a = 7.99198(6) angstrom, LI = 12.14896(9) degrees, c = 23.76987(19) angstrom, beta = 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. (C) 2017 Elsevier B.V. All rights reserved.