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.
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| http://dx.doi.org/10.1016/j.saa.2009.02.025 | DOI Listing |
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