A ground-state triplet diphenylcarbene derivative, 2,2′,4,4′,6,6′-hexabromodiphenylcarbene 2 was synthesized and generated to be a model for chemically stable organic high-spin molecules. This paper describes ESR detection of 2 in the crystal of the diazo precursor 1 and the molecular and crystal structure of the diazo precursor obtained by X-ray diffraction at room temperature. The crystal is monoclinic with cell dimensions, a=9.993Å, b=13.261Å, c=12.743Å, θ=91.88°, Z=4, and the space group P21/n. The two phenyl rings of 2,4,6-bromo-substitution make bent perpendicular conformation with 139 degree of the bond angle at the diazo methane. Non-bonded contacts shorter than the van der Waals radii were found between the nitrogen and bromine atoms of the nearest neighboring molecules.
All Science Journal Classification (ASJC) codes
- Electronic, Optical and Magnetic Materials
- Condensed Matter Physics
- Mechanics of Materials
- Mechanical Engineering
- Metals and Alloys
- Materials Chemistry