Abstract
5-Tert-butyl-(3-(1,3-dihydroxy-2-(hydroxymethyl)propan-2-ylimino)methyl)-2-hydroxybenzaldehyde (L1), (4-tert-butyl-2-(1,3-dihydroxy-2-(hydroxymethyl)propan-2-ylimino)methyl)-6-(dimethoxymethyl) phenol (L2) and (2-(1,3-dihydroxy-2-(hydroxymethyl)propan-2-ylimino)methyl)-6-methoxyphenol (L3), react with vanadyl acetylacetonate to give the vanadium(V) complexes [VO(L1-3H+)]2·dmso, [VO(L2-3H+)]2 and [VO(L3-3H+)]2·dmso. All complexes present the vanadium(V) center as the less common [VO]3+ cation. The structural features of the title compounds, specially the occurrence of supramolecular assemblies supported by bifurcated and trifurcated hydrogen bonding are discussed, as well as DFT studies and HOMO–LUMO energy gaps. Calculated spatial maps of the Fukui functions, f+(r) and f−(r), are also presented and discussed.
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