| dc.creator | SEGUEL,GLORIA V | |
| dc.creator | RIVAS,BERNABÉ L | |
| dc.creator | PAREDES,CÉSAR | |
| dc.date | 2010-01-01 | |
| dc.date.accessioned | 2017-03-07T16:22:20Z | |
| dc.date.available | 2017-03-07T16:22:20Z | |
| dc.identifier | http://www.scielo.cl/scielo.php?script=sci_arttext&pid=S0717-97072010000100003 | |
| dc.identifier.uri | http://repositorioslatinoamericanos.uchile.cl/handle/2250/400432 | |
| dc.description | Semi-empirical calculations were used to characterize the orotic acid structure. The structures optimised using the PM3, AM1, and CNDO methods were compared with the crystallographic data. Orotic acid is a polydentate ligand due to the net charge on the atoms from the functional group. A compound was synthesized by reacting orotic acid with zinc acetate dihydrated in a neutral and non-aqueous media. This compound was characterized by elemental analysis, spectroscopy, and thermal analysis. The orotic acid replaces water molecules from zinc acetate dihydrate and coordinates through an exo-cyclic oxygen. Based on the probable structure, PM3 semi-empirical calculations of the complex of Zn(II) were performed. The semi-empirical calculations suggest that the orotic acid coordinated through C2=O group, where acetate groups maintained the bidentate coordination and the Zn- H3Or distance is greater than that the Zn- H2O distance for the Zn(II) acetate dihydrate. | |
| dc.format | text/html | |
| dc.language | en | |
| dc.publisher | Sociedad Chilena de Química | |
| dc.source | Journal of the Chilean Chemical Society v.55 n.1 2010 | |
| dc.subject | Zinc(II) acetate | |
| dc.subject | metal acetate | |
| dc.subject | orotic acid | |
| dc.subject | semi-empirical calculations | |
| dc.title | SYNTHESIS AND CHARACTERIZATION OF Zn(II) COMPLEX WITH THE ACETATE AND OROTIC ACID MK LIGANDS | |
| dc.type | Artículos de revistas | |
