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Approaching Sixfold Chemical Bonding: Metal Dimers MM' Involving Group 4-8 Transition Metals and the Actinides Th-Np.
Pekka Pyykkö1, Michiko Atsumi2
1Department of Chemistry, Faculty of Science, University of Helsinki, Helsinki, Finland.
Abstract:
A set of additive covalent radii is fitted to a combination of experimental data, accurate ab initio computations, and more approximate DFT MM' bond lengths, , with 12 valence electrons in approximately molecular orbitals. These are typically 10-20 pm shorter than the previous triple-bond radii . Values for the elements Ti-Fe, Zr-Ru, Hf-Os, and Th-Np are fitted. Extrapolated values for suitable cases in Group 3 (including rare earths) and Group 9 plus Pu are also proposed.
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