摘要
The internal energy distributions of the nascent BaBr products formed in the reactions of Ba+BrR(R=CH_3,C_2H_5,C_3H_7,C_4H_9,C_5H_(11)) 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 poten- tial of the Ba+CH_3 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 poten- tials.It is concluded that the mass factor and the C-Br bond strength are the major factors affecting the rela- tionship 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.
The internal energy distributions of the nascent BaBr products formed in the reactions ofBa+BrR(R=CH<sub>3</sub>,C<sub>2</sub>H<sub>5</sub>,C<sub>3</sub>H<sub>7</sub>,C<sub>4</sub>H<sub>9</sub>,C<sub>5</sub>H<sub>11</sub>) under the single collision condition have been first studied bylaser-induced fluorescence method.With computer simulations of the experimental spectra,we obtained thevibrational 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 poten-tial of the Ba+CH<sub>3</sub> reaction has been deduced reversely from the experimental results.The dynamics of thereactions Ba+BrR have been studied by the classical trajectory calculations based on the model LEPS poten-tials.It is concluded that the mass factor and the C-Br bond strength are the major factors affecting the rela-tionship between vibrational excitation and reaction cross-section with the number of the carbon atoms in thealkyl radical R.Furthermore,we obtained all the LEPS potentials of the reactive systems Ba+C<sub>m</sub>H<sub>2m+1</sub> andconfirmed its reliability with ab initio calculations.
基金
supported by the Research Fund of Dalian Institute of Chemical Physics,Academia Sinica
by the National Natural Science Foundation of China.
