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Cover Picture (Angew. Chem. Int. Ed. Engl. 13/1994)
Publication year - 1994
Publication title -
angewandte chemie international edition in english
Language(s) - English
Resource type - Reports
SCImago Journal Rank - 5.831
H-Index - 550
eISSN - 1521-3773
pISSN - 0570-0833
DOI - 10.1002/anie.199413071
Subject(s) - cover (algebra) , tetracyanoethylene , atomic orbital , physics , crystallography , chemistry , combinatorics , electron , mathematics , quantum mechanics , engineering , mechanical engineering , organic chemistry
The cover picture shows the electron density distribution for the tetracyanoethylene radical anion as calculated with a hybird model using a minimal basis set of atomic orbitals (p z oritabls for C and N) and a multipolar expansion of the spin density. The picture shows the best agreement with the experimental data obtained by neutron diffraction. The significant electron density apparent at the nitrogen atoms is necessary for magnetic interactions. More on the analysis is given by J. S. Miller et al. on p. 139ff.