Resumen

SEGUEL, GLORIA V; RIVAS, BERNABÉ L  y  NOVAS, CLAUDIA. POLYCHELATES OF POLY(4-VINYLPYRIDINE) WITH Cu(II) AND Zn(II): SYNTHESIS,CHARACTERIZATION, AND SEMI-EMPIRICA CALCULATIONS. J. Chil. Chem. Soc. [online]. 2006, vol.51, n.1, pp. 801-807. ISSN 0717-9707.  http://dx.doi.org/10.4067/S0717-97072006000100009.

Polychelates of poly(4-vinyl pyridine) with metal acetates of Cu(II) and Zn(II) are synthesized. These compounds are characterized by elemental and thermal analysis, FT-IR and electronic spectroscopies in the d-d region of the spectrum. The influence of the nitrogen polymer ligand on the structure of metal acetates is studied. Semi-empirical calculations by PM3 method are done. To that the most stable polymer ligand conformations of the polychelates are employed. The electrostatic potential of the most stable polychelate structures is calculated

Palabras llave : metal ions; semi-empirical calculations.