Cover Image, Volume 115, Issue 4 | Zendy

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Cover Image, Volume 115, Issue 4

Publication year - 2015

Publication title -

international journal of quantum chemistry

Language(s) - English

Resource type - Reports

SCImago Journal Rank - 0.484

H-Index - 105

eISSN - 1097-461X

pISSN - 0020-7608

DOI - 10.1002/qua.24857

Subject(s) - nanoclusters , cover (algebra) , antiaromaticity , fullerene , physics , crystallography , nanotechnology , computer science , chemistry , materials science , theoretical physics , quantum mechanics , molecule , aromaticity , engineering , mechanical engineering

Inspired by the experimental investigation of FeN 4 substituted carbon nanotubes, novel hollow‐based nanoclusters are designed by substitution of one or more (up to six) C 2 C 4 fragments in the atomic lattice of C 60 fullerene by MN 4 groups (M = Mg, Fe, Zn). Vladimir A. Pomogaev, Pavel V. Avramov, Alex A. Kuzubov, and Victor Ya. Artyukhov (DOI: 10.1002/qua.24840 ) report that the energetic stability of the clusters is secured by the antiaromaticity of the electronic structure of MN 4 fragments. The Fe‐based nanoclusters bear extremely high spin states and can be used as molecular supermagnets or catalysts.

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