Supramolecular arrangement promoted in trans-[PdCl2(HONC10H14O)2]·2H2O by hydrogen bonding

• 1D chain of trans-[PdCl2(HONC10H14O)2] molecules promoted by lattice water.
• Intra and inter molecular hydrogen bond network on trans-[PdCl2(HONC10H14O)2]⋅2H2O.
• Synthesis and crystal structure of trans-[PdCl2(HONC10H14O)2]⋅2H2O.
• DFT B3LYP Grimme’s dispersion corrected calculations on [PdCl2(HONC10H14O)2]⋅2H2O.
• Full vibrational analysis of trans-[PdCl2(HONC10H14O)2] with/without H2O.

Palladium(II) complexes trans-[PdCl2(3-HONC10H14O)2]⋅2H2O and trans-[PdCl2(2-HONC10H16)2] with similar formulations and molecular geometries display considerably different supramolecular arrangements due to hydrogen bonding involving the oxime substituent (NOH) of the camphor ligand, the halide co-ligand of adjacent molecules and H2O outer-sphere molecules in the case of trans-[PdCl2(3-HONC10H14O)2]⋅2H2O. The discussion is based on data collected by X-ray diffraction analysis and DFT calculations.

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