Kubas complexes extended to four centers; a theoretical prediction of novel dihydrogen coordination in bimetallic tungsten and molybdenum compounds

• Theoretical prediction of novel Kubas complexes.
• Four center bonding on bimetallic transition metal compounds.
• Molybdenum and tungsten carbonyls bind dihydrogen.
• Up to three hydrogen molecules bound to two metal centers.

A number of molybdenum and tungsten bimetallic compounds with carbonyl and phosphine ligands are investigated, using theoretical methods, with respect to their ability to bind molecular hydrogen in a Kubas type coordination. Some are found to give novel complexes, containing a four center metal–dihydrogen interaction.

A number of molybdenum and tungsten bimetallic compounds with carbonyl and phosphine ligands are investigated, using theoretical methods, with respect to their ability to bind molecular hydrogen in a Kubas type coordination. Some are found to give novel complexes, containing a four center metal–dihydrogen interaction.Figure optionsDownload as PowerPoint slide