Premium
Final Comment on the Discussions of “The Case of Cuprite”
Author(s) -
Wang Shu Guang,
Schwarz W. H. Eugen
Publication year - 2000
Publication title -
angewandte chemie international edition
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 5.831
H-Index - 550
eISSN - 1521-3773
pISSN - 1433-7851
DOI - 10.1002/1521-3773(20001103)39:21<3794::aid-anie3794>3.0.co;2-q
Subject(s) - cuprite , chemistry , copper , organic chemistry
How experimental are experimental electron densities (EDDs)? Cuprite Cu 2 O is a parent compound of HT superconductors. It has a remarkable crystal structure and Madelung energy. Its EDD determinations have recently evoked heavy discussions, among others concerning electron accumulation on a potential energy saddle inside an empty Cu 4 tetrahedron (see sketch). The so‐called EDD is derived from experimental structure factors with the help of a mathematical model. Errors in the EDD may stem from experimental errors and/or mathematical artifacts!