Bis(azido) alpha-iminooxime cobalt macrocyclic complex: synthesis, spectroscopy and ZINDO/S calculations.
Herein we report on the macrocyclic complex [Co(dohpn)(N3)2] (dohpn=2,3,9,10-tetramethyl-1,4,8,11-tetraazaundecane-1,3,8,10-tetraen-11-ol-1-olate). According to the MM+ optimized structure, it shows an octahedral environment around the metal ion with an overall planar configuration of the macrocyclic ligand, while azido ligands are not perpendicular to the plane of the macrocycle. Quantum mechanic calculations through semi-empirical methods were performed and a detailed spectroscopic (ZINDO/S) assignment is also presented.
Cavichiolo
Leandro J
LJ
Departamento de Química, Universidade Federal do Paraná, Cx. Postal 19081, 81531-990 Curitiba, PR, Brazil.
Hörner
Manfredo
M
Giglio
Vinícius Feltrin
VF
Nunes
Fábio S
FS
D001386:Azides / Q000737:chemistry*; D003035:Cobalt / Q000737:chemistry*; D004583:Electrons; D007097:Imines / Q000737:chemistry*; D047028:Macrocyclic Compounds / Q000138:chemical synthesis* / Q000737:chemistry; D008958:Models, Molecular; D008968:Molecular Conformation; D010091:Oximes / Q000737:chemistry*; D013057:Spectrum Analysis
D001386:Azides; D007097:Imines; D047028:Macrocyclic Compounds; D010091:Oximes; D003035:Cobalt