Determinação estrutural por difração de raios-X de dois compostos de rutênio complexados com os ligantes 2,2- bipiridina e 1,3-bis(difenilfosfino)butano

Abstract

Numerous ruthenium(II) crystals with π-unsaturated ligands, such as pyridines, organonitriles, benzonitriles and acetonitriles, are extensively studied. One of the characteristics of these compounds is that they can mimic biological structures with specific properties in general metabolism: nucleic acids, among others. They have also been extensively studied due to their involvement in redox catalysis and electron transfer reactions. In this work, the process of formation of organometallic crystals was analyzed and understood, crystallographically, through structural determination by X-ray diffraction of two ruthenium crystals complexed with the ligands 2,2-bipyridine and 1,3- bis(diphenylphosphino)butane . The compounds analyzed were RUDPPBYPI and MB07, codes adopted by Prof. Dr. Alzir Batista. Such compounds were provided by the group of Prof. Dr. Alzir Batista from the Chemistry Institute of the Federal University of São Carlos – UFSCar. After the structural determination of the compounds under study and the complete refinement of the structures – using the WinGX software – approximate errors of 5% (RUDPPBYPI) and 3% (MB07) were obtained, considerably quite low, satisfactory and acceptable. The use of the ORTEP software was very successful, as it revealed the representations of the images of the molecules duly resolved and refined. Confirming that the methodology used to determine the crystalline and molecular structure was accurate and correct, as the model obtained actually approximates the real structure of crystals.