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A Combined First Principles TDDFT and Experimental Study on the Uv-Vis Spectra Properties of M(P-Nitrophenyl Azo Resorcinol)(3) Complexes (M: Fe, Cr)
(Scientific Technical Research Council Turkey-Tubitak, 2014)
UV-Vis absorption data of p-nitrophenyl azo resorcinol (Magneson I) and its 2 Fe(III) and Cr(III) complexes were investigated both experimentally and theoretically. The geometries were optimized at BP86/TZVP level. The ...