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Molecular Electrostatic Potential and Noncovalent Interactions in Derivatives of Group 8 Elements
Author(s) -
Daolio Andrea,
Pizzi Andrea,
Calabrese Miriam,
Terraneo Giancarlo,
Bordig Simone,
Frontera Antonio,
Resnati Giuseppe
Publication year - 2021
Publication title -
angewandte chemie
Language(s) - English
Resource type - Journals
eISSN - 1521-3757
pISSN - 0044-8249
DOI - 10.1002/ange.202107978
Subject(s) - osmium tetroxide , chemistry , osmium , non covalent interactions , pyridine , electrophile , main group element , group (periodic table) , nucleophile , adduct , computational chemistry , stereochemistry , molecule , organic chemistry , transition metal , catalysis , hydrogen bond , ruthenium , physics , electron microscope , optics
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.