10.6084/m9.figshare.7558397.v1 Marco Bortoluzzi Marco Bortoluzzi Jesús Castro Jesús Castro Dibromomanganese(II) complexes with hexamethylphosphoramide and phenylphosphonic bis(diamide) ligands Taylor & Francis Group 2019 Manganese(II) tetrahedral complexes phosphoramide ligands phenylphosphonic diamide ligands crystal structures hydrogen bonds 2019-01-08 06:38:29 Journal contribution https://tandf.figshare.com/articles/journal_contribution/Dibromomanganese_II_complexes_with_hexamethylphosphoramide_and_phenylphosphonic_bis_diamide_ligands/7558397 <p>Tetrahedral dibromomanganese(II) complexes having formulas [MnBr<sub>2</sub>{O = PR(NMe<sub>2</sub>)<sub>2</sub>}<sub>2</sub>] (R = NMe<sub>2</sub> (<b>1</b>); Ph (<b>2</b>)) were isolated and characterized by single crystal X-ray diffraction. [MnBr<sub>2</sub>{O = P(NMe<sub>2</sub>)<sub>3</sub>}<sub>2</sub>] (<b>1</b>) crystallizes in the monoclinic <i>C2</i>/<i>c</i> space group. The asymmetric unit contains one half of the molecule with the Mn(II) atom in a distorted tetrahedral coordination. The intermolecular network of this coordination compound was studied by generating and inspecting its Hirshfeld surface, while the weak intramolecular hydrogen bonds were investigated computationally by AIM analysis in the gas phase and in solution. The Hirshfeld analysis was extended to the related [MnBr<sub>2</sub>{O = PPh(NMe<sub>2</sub>)<sub>2</sub>}<sub>2</sub>] complex (<b>2</b>).</p>