Synthesis and properties of fluorothallium(III) porphyrins. X-ray crystal structure of fluoro-(5,10,15,20-tetraphenylporphyrinato) thallium(III)

Abstract

The action of sodium fluoride on chlorothallium(III) porphyrins, Tl(Por)Cl, produces the corresponding fluoroporphyrins, Tl(Por)F. These complexes were characterized by their 1H-NMR, UV-vis and IR data. The crystal structures of the title compound [Tl(TPP)F] has been determined by X-ray diffraction. It crystallizes in the monoclinic space group P2 1/ n with Z = 4 and lattice dimensions a = 10.118(3), b = 16.236(5), c = 21.189(6) Å, β = 90.86(2)°, V = 3480(2) Å 3. C 44H 28FN 4Tl, F w = 836.11 g, ϱ = 1.60 g cm −3, μ = 47.3 cm −1, F(000) = 1640, temperature 23(1)°C, R( F) = 0.045, Rw( F) = 0.050 for 2135 observed reflections. The thallium-fluorine distance is 2.441(6) Å with the thallium atom situated 0.741(1) Å above the porphyrin ring.