Reactive and non-reactive species formed during the methanolysis of NaBH<sub>4</sub>: a theoretical and experimental approach
Alejandro Vallejo Orrego, Cristián A. Ferretti, V.K. Dı́ez
Abstract
The formation, stability, and reactivity of the species generated by the reduction reaction of solid NaBH 4 with methanol in the liquid phase were investigated by experimental FTIR studies and density functional theory (DFT) calculations.
Topics & Concepts
Reactivity (psychology)MethanolDensity functional theoryFourier transform infrared spectroscopyChemistryPhase (matter)Reactive intermediateComputational chemistryOrganic chemistryChemical engineeringCatalysisEngineeringAlternative medicinePathologyMedicineHydrogen Storage and MaterialsQuantum, superfluid, helium dynamicsSuperconductivity in MgB2 and Alloys