HNO donor compounds: a thermodynamic, kinetic, experimental and theoretical approach

• Grant number: 12/22270-7
• Support Opportunities: Scholarships in Brazil - Doctorate
• Start date: March 01, 2013
• End date: February 29, 2016
• Field of knowledge: Physical Sciences and Mathematics - Chemistry - Inorganic Chemistry
• Principal Investigator: Douglas Wagner Franco
• Grantee: Augusto Cesar Huppes da Silva
• Host Institution: Instituto de Química de São Carlos (IQSC). Universidade de São Paulo (USP). São Carlos , SP, Brazil

Abstract

It is proposed to investigate the chemical complex of ruthenium-nitroxil (Ru-HNO, Ru-NO-) from the point of view of thermodynamic and kinetic in order to better understand the redox reactions [Ru(NO)]3+ / [Ru(NO)]2+ and control the reactions release binder nitroxil (HNO/NO-). The initial option is that this complex by dissociation takes place slowly, in view of its application as a template conveyor/releasing HNO/NO-. From the knowledge of the reactivity of these compounds and analysis of products formed in the reactions will be possible to propose ways in which the complex M-M-HNO or NO-releasing agents could act as NO-or HNO in physiological environment. In parallel theoretical studies will be performed using quantum-chemical tools to assist in the interpretation of results, guide the modeling compounds and better understand the chemical properties of nitroxil. Thus, it is intended to better understand the stabilization of singlet state (1HNO) relative to the triplet state (3HNO) nitroxila binder. (AU)

Academic Publications

(References retrieved automatically from State of São Paulo Research Institutions)

SILVA, Augusto Cesar Huppes da. Theoretical-Experimental Study of Nitroxil and Nitroxyl-Complexes in Ruthenium(II) Tetraammines. 2016. Doctoral Thesis - Universidade de São Paulo (USP). Instituto de Química de São Carlos (IQSC/BT) São Carlos.