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New Evidence Concerning the Structure of Amorphous Red Phosphorus
Author(s) -
Hartl Hans
Publication year - 1996
Publication title -
angewandte chemie international edition in english
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 5.831
H-Index - 550
eISSN - 1521-3773
pISSN - 0570-0833
DOI - 10.1002/anie.199526371
Subject(s) - amorphous solid , ab initio , phosphorus , component (thermodynamics) , crystallography , computational chemistry , ab initio quantum chemistry methods , materials science , chemistry , chemical physics , thermodynamics , molecule , physics , metallurgy , organic chemistry
Helical strands from P 2 and P 10 units (see structure below), recently predicted by ab initio calculations to be thermodynamically stable, and shortly thereafter discovered as a structural element in (CuI) 3 P 12 , might be the major component of amorphous red phosphorus. Radial distribution functions calculated on the basis of this structural model are in very good agreement with experimentally determined diagrams.