Cover Feature: Origin of Hydrocarbons Stability from a Computational Perspective: A Case Study of Ortho‐Xylene Isomers (ChemPhysChem 6/2020)

The Cover Feature demonstrates, contrary to the intuition and classical steric‐based perception, the CH⋅⋅⋅HC attraction in ortho‐xylene rotamers. It is revealed, that their stability is rooted in cooperative action of hyperconjugation, aromaticity and intra‐molecular “bay and side‐types” CH⋅⋅⋅HC int...

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Published inChemphyschem Vol. 21; no. 6; p. 467
Main Authors Mitoraj, Mariusz P., Sagan, Filip, Szczepanik, Dariusz W., Lange, Jurgens H., Ptaszek, Aleksandra L., Niekerk, Daniel M. E., Cukrowski, Ignacy
Format Journal Article
LanguageEnglish
Published 17.03.2020
Subjects
aromaticity
homopolar dihydrogen bonding
hydrocarbons stability
hyperconjugation
London dispersion forces
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Summary:The Cover Feature demonstrates, contrary to the intuition and classical steric‐based perception, the CH⋅⋅⋅HC attraction in ortho‐xylene rotamers. It is revealed, that their stability is rooted in cooperative action of hyperconjugation, aromaticity and intra‐molecular “bay and side‐types” CH⋅⋅⋅HC interactions. More information can be found in the Article by M P. Mitoraj et al. on page 494 in Issue 6, 2020 (DOI: 10.1002/cphc.202000066).
ISSN:1439-4235
1439-7641
DOI:10.1002/cphc.202000140