SYNTHESIS AND MOLECULAR-STRUCTURE OF MESO-TETRA(4-PYRIDYL) PORPHYRINATOTHALLIUM(III) CYANIDE - TL(TPYP)(CN)

The new compound meso-tetra(4-pyridyl) porphyrinatothallium(III) cyani de, Tl(tpyp)(CN), has been synthesized and its molecular structure det ermined by X-ray analysis. The thallium-carbon(cyanide) distances are 2.163 (12) Angstrom [for thallium (1)] and 2.121 (28) Angstrom [for th allium (2)], respectively, with thallium(1) situated 0.825 Angstrom ab ove the porphyrin ring and thallium(2) located 0.900 Angstrom below th e ring. The characteristic band observed at 2163 cm-1 in the FTIR spec trum confirms that the C drop N group is present in the Tl(tpyp)(CN) c omplex. The C-13 resonance of the axial cyano ligand was observed at 1 37.7 ppm (24 degrees C) (with (1)J(Tl-205-C-13) coupling constant 5852 Hz and (1)J(Tl-205-C-13) coupling constant 5795 Hz). The Correlation Spectroscopy via Long-Range Coupling technique (COLOC) was used to res olve two quaternary carbons ie. C alpha and C-1 at 149.3 and 149.1 ppm , respectively.