Abstract
The magnetic susceptibility and crystal structure of the toluene solvate of tris(3,5-di-tert-butylphenyl)methyl (1) were determined. Crystals of 1.C7H8 are monoclinic, space group C2/c: a = 11.476(4) Å, b = 17.312(6) Å, c = 22.216(7) Å, β = 100.87(3)°, Z = 4. The molecules have C2 site symmetry and approximate D3 symmetry in the lattice; the methyl carbon is planar in its coordination. Phenyl ring twists out of the mean molecular plane are comparable to other meta- or para-substituted triarylmethyls. The X-ray structure is in substantial agreement with the molecular structure calculated with the AMI Hamiltonian. The magnetic susceptibility of the crystals is characteristic of a paramagnet; SQUID magnetometry shows no measurable exchange interaction above 2.6 K. This is consistent with a solvated lattice in which there is no appreciable π-overlap between adjacent radicals. A comparison with other known triarylmethyl crystal structures is reported.
| Original language | English (US) |
|---|---|
| Pages (from-to) | 729-732 |
| Number of pages | 4 |
| Journal | Chemistry of Materials |
| Volume | 5 |
| Issue number | 5 |
| DOIs | |
| State | Published - 1993 |
ASJC Scopus subject areas
- General Chemistry
- General Chemical Engineering
- Materials Chemistry