Computational study and spectroscopic investigations of the [Zn(phen)2(cnge)(H2O)](NO3)2.H2O complex

NORA B. OKULIK; JUAN J. MARTÍNEZ MEDINA; MARÍA SOLEDAD ISLAS; CARLOS A. FRANCA; PATRICIA A.M. WILLIAMS

Santiago de Chile

Congreso; WATOC 2014; 2014

Zinc is an essential metal and plays an important roll in catalytic, structural, and regulatory functions. Complexation is associated with zinc in biological systems. To simulate nitrogen environments around Zn(II), we propose the use of cyanoguanidine (cnge) and o-phenanthroline (o-phen). The [Zn(phen)2(cnge)(H2O)](NO3)2?H2O complex was synthesized at high pH and the crystal structure was determined by X-ray diffraction methods. The complex was characterized both in the solid state and in the solution by FT-IR, Raman, and fluorescence spectroscopies, respectively.