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Cover Feature: Origin of Hydrocarbons Stability from a Computational Perspective: A Case Study of Ortho‐Xylene Isomers (ChemPhysChem 6/2020)
Author(s) -
Mitoraj Mariusz P.,
Sagan Filip,
Szczepanik Dariusz W.,
Lange Jurgens H.,
Ptaszek Aleksandra L.,
Niekerk Daniel M. E.,
Cukrowski Ignacy
Publication year - 2020
Publication title -
chemphyschem
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 1.016
H-Index - 140
eISSN - 1439-7641
pISSN - 1439-4235
DOI - 10.1002/cphc.202000140
Subject(s) - chemistry , intuition , steric effects , conformational isomerism , cover (algebra) , aromaticity , computational chemistry , stereochemistry , molecule , organic chemistry , epistemology , philosophy , mechanical engineering , engineering
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).