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Cover Image, Volume 41, Issue 2
Publication year - 2020
Publication title -
journal of computational chemistry
Language(s) - English
Resource type - Reports
SCImago Journal Rank - 0.907
H-Index - 188
eISSN - 1096-987X
pISSN - 0192-8651
DOI - 10.1002/jcc.25879
Subject(s) - heterolysis , homolysis , cover (algebra) , chemistry , cleavage (geology) , covalent bond , citation , bond cleavage , computer science , crystallography , library science , paleontology , geology , organic chemistry , engineering , mechanical engineering , fracture (geology) , radical , catalysis
The competition between heterolytic and homolytic bond cleavage is very common in organic chemistry. However, the breakage of a single covalent σ‐type bond is usually associated with formation of two radical species. In their article on page 88, Li and Rogachev show that the actual mechanism of bond cleavage in functionalized corannulene cations [R‐C 20 H 10 ] + strongly depends on the type of the R‐group, while the nature of the target bond remains exactly the same. In the Cover image, the deformation density, which clearly illustrates the electron transfer associated with specific homo‐ or heterolytic mechanism, is presented. DOI: 10.1002/jcc.26065