Direct electrochemical synthesis of N-oxopyridine-2-thionato complexes of nickel(II), cobalt(II) and cobalt(III)

Abstract

The electrochemical oxidation of anodic metal (nickel or cobalt) in MeCN solutions of 1-hydroxy-2-pyridinethione (HPT) gives [Ni(PT)2], [Co(PT)2] or [-Co(PT)3 ]. When 1,10-phenanthroline (phen) or 2,2'-bipyridine (bipy) are added to the electrolytic phase the product is a complex, [Ni(PT)zL ] or [Co(PT)zL ] (L = bipy or phen). The i.r., u.v. and 1H-and 13C-n.m.r. spectra of the complexes are discussed.

A mass spectrometry and DFT study of pyrithione complexes with transition metals in the gas phase

“…Initially, the structures of several neutral compounds were optimized in order to compare the calculated geometries with those obtained in the solid phase, namely for M(PTO) 2 (M = Ni, Cu, and Zn), Co(PTO) 3 , and [Mn(PTO) 3 ] ‐ . The electronic state of the neutral compounds M(PTO) 2 has been characterized for M = Mn (sextet), Co (quartet), Ni (singlet), Cu (doublet), and Zn (singlet) . The calculated geometries found are in agreement with the X‐ray crystal data (Table S2 in Supporting Information) and coincide with previous theoretical calculations carried out at the B3LYP level for complexes of thioformin with nickel, copper, and zinc …”