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Designing M-bond (X-M center dot center dot center dot Y, M = transition metal): sigma-hole and radial density distribution

Joy, Jyothish and Jemmis, Eluvathingal D (2019) Designing M-bond (X-M center dot center dot center dot Y, M = transition metal): sigma-hole and radial density distribution. In: JOURNAL OF CHEMICAL SCIENCES, 131 (12, SI).

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Official URL: https://doi.org/10.1007/s12039-019-1708-4


Following the ubiquitous H-bond, there is a growing interest in weak non-covalent interactions involving other elements, viz., the Z-bonds (X-Z center dot center dot center dot Y, Z = halogens, chalcogens, etc.). Although almost all the main group elements can act as Z bond donors, the search for a similar role for transition metals in X-M center dot center dot center dot Y, (M = transition metal) interaction, called the Metal-bond, is still in its infancy. This article summarizes our attempts to understand the participation of transition metal elements as electron acceptors in a weak interaction with electron-rich species Y. Cambridge Structural Database analysis revealed that except Group 11 and 12 transition metal complexes (Type-II), electron-saturated (18 electron) metal complexes having partly filled d orbitals (Group 3-10; Type-I) hesitate to form Metal-bonds. This is attributed to the partial sigma-hole screening by core electron density and diminished stabilization from charge polarization in Type I complexes. We also show that Type-I complexes could be forced to form Metal-bonds by employing extreme ligand conditions, thereby opening new areas of research where Metal-bonds can act as emerging non-covalent interaction in designing supramolecular architectures.

Item Type: Journal Article
Additional Information: Copyright of this article belongs to Indian Academy of Sciences
Keywords: Weak interactions; H-Bond; M-Bond; sigma-hole; MESP; radial density distribution
Department/Centre: Division of Chemical Sciences > Inorganic & Physical Chemistry
Date Deposited: 27 Jan 2020 06:57
Last Modified: 27 Jan 2020 06:57
URI: http://eprints.iisc.ac.in/id/eprint/64299

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