Reactive and non-reactive species formed during the methanolysis of NaBH4: a theoretical and experimental approach

Author:

Vallejo Orrego Alejandro1ORCID,Ferretti Cristián A.2ORCID,Díez Verónica K.1ORCID

Affiliation:

1. Catalysis Science and Engineering Research Group (GICIC), INCAPE, UNL-CONICET, CCT CONICET Santa Fe, Colectora Ruta Nac. 168, km 0, Paraje El Pozo, (3000) Santa Fe, Argentina

2. Fester Laboratory of Organic Chemistry, Institute of Applied Chemistry of Litoral, IQAL, UNL-CONICET, (3000) Santa Fe, Santiago del Estero 2829, Argentina

Abstract

The formation, stability, and reactivity of the species generated by the reduction reaction of solid NaBH4 with methanol in the liquid phase were investigated by experimental FTIR studies and density functional theory (DFT) calculations.

Funder

Fondo para la Investigación Científica y Tecnológica

Universidad Nacional del Litoral

Consejo Nacional de Investigaciones Científicas y Técnicas

Publisher

Royal Society of Chemistry (RSC)

Subject

Fluid Flow and Transfer Processes,Process Chemistry and Technology,Chemical Engineering (miscellaneous),Chemistry (miscellaneous),Catalysis

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