A theoretical study of the gas-phase chemi-ionization reaction between uranium and oxygen atoms.
نویسندگان
چکیده
The U+O chemi-ionization reaction has been investigated by quantum chemical methods. Potential-energy curves have been calculated for several electronic states of UO and UO(+). Comparison with the available spectroscopic and thermodynamic values for these species is reported and a mechanism for the chemi-ionization reaction U+O-->UO(+)+e(-) is proposed. The U+O and Sm+O chemi-ionization reactions are the first two metal-plus-oxidant chemi-ionization reactions to be studied theoretically in this way.
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ورودعنوان ژورنال:
- The Journal of chemical physics
دوره 122 14 شماره
صفحات -
تاریخ انتشار 2005