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Molecular Electrostatic Potential and Noncovalent Interactions in Derivatives of Group 8 Elements.

ABSTRACT: This communication reports experimental and theoretical evidences of σ-hole interactions in adducts between nitrogen or oxygen nucleophiles and tetroxides of osmium or other group 8 elements. Cocrystals between pyridine or pyridine N-oxide derivatives and osmium tetroxide are characterized through various techniques and rationalized as σ-hole interactions using DFT calculations and several other computational tools. We propose the term "osme bond" (OmB, Om=Fe, Ru, Os, (Hs)) for naming the noncovalent interactions wherein group 8 elements have the role of the electrophile. The word osme is the transcription of ὀσμή, the ancient Greek word for smell that was used to name the heaviest group 8 element in relation to the smoky odor of its tetroxide.

SUBMITTER: Daolio A

PROVIDER: S-EPMC8519081 | biostudies-literature | 2021 Sep

REPOSITORIES: biostudies-literature

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Molecular Electrostatic Potential and Noncovalent Interactions in Derivatives of Group 8 Elements.

Daolio Andrea A Pizzi Andrea A Calabrese Miriam M Terraneo Giancarlo G Bordignon Simone S Frontera Antonio A Resnati Giuseppe G

Angewandte Chemie (International ed. in English) 20210816 38

This communication reports experimental and theoretical evidences of σ-hole interactions in adducts between nitrogen or oxygen nucleophiles and tetroxides of osmium or other group 8 elements. Cocrystals between pyridine or pyridine N-oxide derivatives and osmium tetroxide are characterized through various techniques and rationalized as σ-hole interactions using DFT calculations and several other computational tools. We propose the term "osme bond" (OmB, Om=Fe, Ru, Os, (Hs)) for naming the noncov ...[more]

PMID: 34260810

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