Beilstein J. Org. Chem.2018,14, 1482–1490, doi:10.3762/bjoc.14.125
stabilizing contribution from dispersion forces that in many systems turns the ‘steric repulsion’ into a ‘stericattraction’. In addition to London dispersion, such systems benefit from electrostatic stabilization, which arises from a short-range effect of charge penetration and gets bigger with increasing
recognized in aliphatic systems compared to London dispersion, and are therefore likely to have implications for the development of force fields and methods for crystal structure prediction.
Keywords: charge penetration; dispersion; hydrocarbon; non-covalent interactions; stericattraction; Introduction
In
dimers, where the interaction occurs via the CH···HC and CH···C contacts (Figure 1C) [15][16][17][18][19][20][21][22][23][24].
While London dispersion is deservedly paraded as the champion of ‘stericattraction’ in bulky hydrocarbons, several studies have recently pointed to the somewhat less expected
PDF
Graphical Abstract
Figure 1:
(A) Dispersion is insufficient to bend the heptacene σ-dimer, but becomes sizable enough in nonacen...