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Cover Picture: Clusters of Ammonium Cation—Hydrogen Bond versus σ‐Hole Bond (ChemPhysChem 5/2014)
Author(s) -
Grabowski Sławomir J.
Publication year - 2014
Publication title -
chemphyschem
Language(s) - English
Resource type - Reports
SCImago Journal Rank - 1.016
H-Index - 140
eISSN - 1439-7641
pISSN - 1439-4235
DOI - 10.1002/cphc.201490020
Subject(s) - hydrogen bond , chemistry , cluster (spacecraft) , quadruple bond , bond length , crystallography , bond order , molecule , crystal structure , organic chemistry , computer science , programming language
The cover picture shows the molecular graphs of NH 4 + ⋅⋅⋅ (N 2 ) 5 (top) and NH 4 + ⋅⋅⋅ (HCN) 5 (bottom) clusters. There are four NH ⋅⋅⋅ N hydrogen bonds and one N ⋅⋅⋅ N σ‐hole bond for each cluster. A N ⋅⋅⋅ N σ‐hole bond is formed if all the NH bonds of the ammonia cation are involved in the hydrogen bond interactions. Computed electrostatic potentials on the 0.001 au molecular surfaces of the clusters are presentedby S. J. Grabowski on p. 876 . Blue corresponds to the maximum (positive) and red to the minimum (negative) electrostatic potential. The molecular graphs of the NH 4 + ⋅⋅⋅ N 2 and NH 4 + ⋅⋅⋅ HCN complexes are also presented, linked through the NH ⋅⋅⋅ N hydrogen bond (right) or through the N ⋅⋅⋅ N σ‐hole bond (left).