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The Triplet Biradical Tris(3,5‐di‐ tert ‐butyl‐4‐oxophenylene)methane: Crystal Structure, and Spin and Charge Distribution
Author(s) -
Bock Hans,
John Andreas,
Havlas Zdenek,
Bats Jan W.
Publication year - 1993
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.199304161
Subject(s) - diradical , charge (physics) , spin (aerodynamics) , methane , crystal (programming language) , symmetry (geometry) , chemistry , ferromagnetism , tris , crystal structure , crystallography , molecular physics , condensed matter physics , atomic physics , physics , excited state , quantum mechanics , organic chemistry , singlet state , geometry , thermodynamics , biochemistry , computer science , programming language , mathematics
The first structurally characterized triplet diradical , the title compound, has approximate D 3 symmetry with “propeller blades” of quinoidally distorted six‐membered rings twisted in the same direction (picture on the right). According to calculations the spin and charge distributions differ considerably from one another. Organic triplet diradicals are of interest for the development of molecular ferromagnets.