
Journal of the American Chemical Society p. 4608 - 4617 (1983)
Update date:2022-08-03
Topics:
Hoffmann
Corvan
Singh
Sethulekshmi
Metzger
Hatfield
Reaction of title compound with lithium tetracyanoquinodimethanide, LiTCNQ, yields the compound which crystallizes in the triclinic system, space group PI OVER BAR , with lattice parameters a equals 12. 784 A, 13. 400 A, c equals 12. 136 A, alpha equals 113. 51 degree , beta equals 112. 58 degree , and gamma equals 62. 80 degree . The structure of the compound was solved by Fourier methods and refined by least-squares techniques to R equals 0. 060 on the basis of 1957 observed reflections. The structure consists of cations and exocyclically sigma -bonded dimers. The carbon-carbon bond in the dimer is 1. 630 (13) A, and the dimeric ions are arranged in linear chains along the left bracket 110 right bracket direction. Single-crystal electron paramagnetic resonance studies have been carried out in the temperature range 300-490 K, and thermally activated triplet-state (S equals 1) EPR spectra as well as doublet-state (S equals 1/2) EPR spectra have been detected and thoroughly characterized.
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