Radhakrishnan, T. P. ; Van Engen, D. ; Soos, Z. G. (1987) Triplet spin excitons in tris(dimethylamino)cyclopropenium 2,3-dichloro-5,6-dicyanobenzoquinonide Journal of Physical Chemistry, 91 (12). pp. 3273-3277. ISSN 0022-3654
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Official URL: http://pubs.acs.org/doi/abs/10.1021/j100296a034
Related URL: http://dx.doi.org/10.1021/j100296a034
Abstract
The title compound (TDAC-DDQ) crystallizes in the monoclinic space group P21/n, with cell parameters α = 9.852 (3), b = 16.180 (6), c = 12.l52 (3) Å, β = 104.14 (2)°, V = 1875.8 Å3. and Z = 4 (Rw = 0.051). Planar diamagnetic TDAC+ (X+) and paramagnetic ODQ" (A) form two magnetically inequivalent ...X+ A- A- X+... stacks. Electron paramagnetic resonance (EPR) of tbe ODQ- dimers indicates a singlet-triplet gap of 0.25 eV and fine structure constants of D = 21 S G and E = 21 G typical of (ODQ-)2 systems and consistent with solution spin densities. But the incorporation of TDAC+ within the stack immobiJizes the triplet spin exciton, with an upper bound of 1 MHz for the hopping between magnetically inequivalent DDQ- dimers.
| Item Type: | Article |
|---|---|
| Source: | Copyright of this article belongs to American Chemical Society. |
| ID Code: | 65920 |
| Deposited On: | 19 Oct 2011 14:22 |
| Last Modified: | 19 Oct 2011 14:22 |
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