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Silicon Tris(perchloro)dioxolene: A Neutral Triplet Diradical
Author(s) -
Maskey Rezisha,
Wadepohl Hubert,
Greb Lutz
Publication year - 2019
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/anie.201812989
Subject(s) - diradical , silicon , electron paramagnetic resonance , chemistry , ground state , photochemistry , yield (engineering) , open shell , raman spectroscopy , crystallography , atomic physics , materials science , organic chemistry , physics , nuclear magnetic resonance , excited state , singlet state , optics , metallurgy
The reaction of ortho ‐quinones with silicon tetraiodide leads to neutral silicon trisdioxolenes in high yield, delivering the unknown oxidized form of triscatecholatosilicate dianions and the first example of open‐shell semiquinonates connected via a single non‐metal center. Silicon tris(perchloro)dioxolene is a stable diradical with a triplet ground state, as supported by X‐ray diffraction; IR, resonance Raman, UV/Vis, and (VT)EPR spectroscopy; and Kohn–Sham broken‐symmetry computations. Preliminary results suggest that the preferred magnetic ground state can be altered through variation of the substituents.