Bioalcohols are a promising family of biofuels. Among them, 1-butanol has a strong potential as a substitute for petrol. In this manuscript, we report on a theoretical and experimental characterization of 1-butanol thermal decomposition, a very important process in the 1-butanol combustion at high temperatures.
Gas phase ion chemistry has fundamental and applicative purposes since it allows the study of the chemical processes in a solvent free environment and represents models for reactions occurring in the space at low and high temperatures. In this work the ion-molecule reaction of sulfur dioxide ion SO.+2 with carbon monoxide CO is investigated in a joint experimental and theoretical study.
In this work an experimental and theoretical study on the formation of HSO2 + ion from the SO2 ?++CH4 and SO2 ?++H2O ion–molecule reactions at different temperatures is reported. Tunable synchrotron radiation was used to produce the SO2 ?+ ion in excited ro-vibrational levels of the ionic ground state X2A1 and mass spectrometry was employed to identify the product ions. Calculations in the frame of the density functional theory and variational transition state theory were combined to explore the dynamics of the reactions.
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