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Cover Picture: Chem. Eur. J. 12/2002
Author(s) -
Wedig Ulrich,
Brumm Holger,
Jansen Martin
Publication year - 2002
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 - 10.1002/1521-3765(20020617)8:12<2637::aid-chem2637>3.0.co;2-r
Subject(s) - strontium , chemistry , cover (algebra) , alkaline earth metal , quantum chemical , monomer , crystallography , molecule , metal , organic chemistry , polymer , mechanical engineering , engineering
The cover picture shows the domains of the electron localization function (ELF) being enveloped by the corresponding 0.8 isosurface in [C 70 (CH 3 ) 2 ] 2− , which was taken as a model compound in the theoretical investigations of the linear polymeric fulleride chains $\rm{^{1}_{\infty }}$ [C $\rm{_{70}^{2-}}$ ]. Such chains were synthesised by reducing C 70 with alkaline earth or rare earth metals in liquid ammonia. For the strontium compound [Sr(NH 3 ) 8 ]C 70 ⋅3 NH 3 it was possible to determine precisely the individual positions of the carbon atoms in the fulleride by single‐crystal X‐ray structure analysis. The structural features of the monomeric units in the chain agree very well with the results of quantum‐chemical calculations for the model compound. By analysing the ELF, the nature of the various CC bonds in the cage can be determined. The consequences for the reaction behaviour of reduced C 70 are discussed in more detail by M. Jansen et al. on p. 2769 ff.