The replacement of a CH group of benzene by a triel (Tr) atom places a positive region of electrostatic potential near the Tr atom in the plane of the aromatic ring. This σ‐hole can interact with an X lone pair of XCCH (X=F, Cl, Br, and I) to form a triel bond (TrB). The interaction energy between C5H5Tr and FCCH lies in the range between 2.2 and 4.4 kcal/mol, in the order Tr=B
Osme Bond: Geometric and Energetic Features in the Adducts between OsO 4 and Lewis Bases
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- Award ID(s):
- 1954310
- PAR ID:
- 10490237
- Publisher / Repository:
- Wiley Blackwell (John Wiley & Sons)
- Date Published:
- Journal Name:
- Chemistry – A European Journal
- ISSN:
- 0947-6539
- Format(s):
- Medium: X
- Sponsoring Org:
- National Science Foundation
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