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Cover Picture: Metalated Hexaphyrins: From Understanding to Rational Design (Chem. Eur. J. 49/2015)
Author(s) -
Alonso Mercedes,
Pinter Balazs,
Geerlings Paul,
De Proft Frank
Publication year - 2015
Publication title -
chemistry – a european journal
Language(s) - English
Resource type - Reports
SCImago Journal Rank - 1.687
H-Index - 242
eISSN - 1521-3765
pISSN - 0947-6539
DOI - 10.1002/chem.201584901
Subject(s) - ligand (biochemistry) , metalation , metal , chemistry , aromaticity , group (periodic table) , computational chemistry , main group element , stereochemistry , molecule , topology (electrical circuits) , crystallography , chemical physics , transition metal , organic chemistry , mathematics , biochemistry , receptor , combinatorics , catalysis
The unpredictable behavior of [26]‐ and [28]hexaphyrins upon metalation is elucidated by M. Alonso et al. in their Full Paper on page 17631 ff. Quantum chemical calculations demonstrate that the molecular topology of Group 10 and Group 11 metal complexes of hexaphyrins depends on sensitive interplay between the intrinsic ligand strain and the metal–ligand interaction strength. As such, the aromaticity of the ligand and effective charge of the metal are revealed as key factors determining the binding mode and the preference for Möbius or Hückel structures.