The reaction dynamics of the reactions Ba + CmH2m + 1Br (m = 1,2,3,4,5)

The internal energy distributions of the nascent BaBr products formed in the reactions of Ba + BrR(R = CH₃,C₂H₅,C₃H₇,C₄H₉,C₅H₁₁) under the single collision condition have been first studied by laser-induced fluorescence method. With computer simulations of the experimental spectra, we obtained the vibrational distributions of the BaBr products, and found that the vibrational excitation and reaction cross-section increase with the number of the carbon atoms in the alkyl radical R. The quasitriatomic LEPS potential of the Ba + CH₃ reaction has been deduced reversely from the experimental results. The dynamics of the reactions Ba + BrR have been studied by the classical trajectory calculations based on the model LEPS potentials. It is concluded that the mass factor and the CBr bond strength are the major factors affecting the relationship between vibrational excitation and reaction cross-section with the number of the carbon atoms in the alkyl radical R, Furthermore, we obtained all the LEPS potentials of the reactive systems Ba + C_mH_{2m + 1} and confirmed its reliability with ab initio calculations. © 1994.