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Cover Feature: Capturing the Unconventional Metallofullerene M@C 66 by Trifluoromethylation: A Theoretical Study (ChemPhysChem 21/2017)
Author(s) -
Xu Dan,
Wang Zhiyong,
Shinohara Hisanori
Publication year - 2017
Publication title -
chemphyschem
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 1.016
H-Index - 140
eISSN - 1439-7641
pISSN - 1439-4235
DOI - 10.1002/cphc.201701131
Subject(s) - trifluoromethylation , cover (algebra) , chemistry , feature (linguistics) , derivative (finance) , homo/lumo , computational chemistry , metallofullerene , molecule , organic chemistry , mechanical engineering , linguistics , alkyl , philosophy , trifluoromethyl , engineering , financial economics , economics
The Cover Feature shows exohedral trifluoromethylation of a metallofullerene M@C66 which is a very reactive and unstable molecule. The product is a stable derivative with a large HOMO–LUMO gap. In their Full Paper, D. Xu et al. demonstrate the possibility of capturing M@C66 theoretically by means of DFT calculations. More information can be found in the Full Paper by D. Xu et al on page 3007 in Issue 21, 2017 (DOI: 10.1002/cphc.201700830).