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Evrard, Bertrand; Pizzi, Andrea; Mistakidis, Simeon_I; Dag, Ceren_B (, Physical Review Letters)
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Calabrese, Miriam; Pizzi, Andrea; Daolio, Andrea; Beccaria, Roberta; Lo_Iacono, Cristina; Scheiner, Steve; Resnati, Giuseppe (, Chemistry – A European Journal)Abstract Adducts between OsO4and Lewis bases exert a role in important oxidation processes such as epoxidation and dihydroxylation. It has been shown that the attractive interaction driving the formation of these adducts is a σ‐hole bond involving the metal as the electrophilic species; the term Osme Bond (OmB) was proposed for designating it. Here some new adducts between OsO4and various bases have been characterized through single crystal x‐ray diffraction (XRD) and computational studies (density functional theory, DFT), confirming the existence of a robust correlation between σ‐hole interaction energy and deformation of the tetrahedral geometry of OsO4. Also, some adducts formed by RuO4with nucleophiles were investigated computationally.more » « less
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