M. Endregard et al., EXTENDED X-RAY-ABSORPTION FINE-STRUCTURE STUDIES ON CHLORO(PHTHALOCYANINATO)COBALT(III) AND CHLORO(PYRIDINE)(PHTHALOCYANINATO)COBALT(III), Acta chemica Scandinavica, 48(8), 1994, pp. 640-645
The local coordination about the cobalt atom in chloro(phthalocyaninat
o)cobalt(III) (PcCoCl) and chloro(pyridine)(phthalocyaninato)cobalt(II
I) (PyrPcCoCl) has been determined by EXAFS spectroscopy. The cobalt a
tom in PcCoCl is coordinated to four nitrogen atoms at 1.91(1) angstro
m and one chlorine at 2.24(1) The Co-Cl bond length in PyrPcCoCl is 2.
20(1) angstrom, and the composite Co-N bond length is 1.89(1) angstrom
. The geometry obtained here allows the phthalocyanine ring current mo
del to be tested. The calculated and observed ring current shifts of t
he ligand protons are now in accord.