Potential energy and dipole moment functions for the electronic ground state of the NO+ ion have been calculated from highly correlated CASSCF-CI electronic wavefunctions. The radiative lifetimes of the vibrational states are compared with two different experimental measurements and previous theoret
Radiative lifetimes for the X 1Σ+ state of NO+
✍ Scribed by Harry Partridge; Stephen R. Langhoff; Charles W. Bauschlicher Jr.
- Publisher
- Elsevier Science
- Year
- 1990
- Tongue
- English
- Weight
- 329 KB
- Volume
- 170
- Category
- Article
- ISSN
- 0009-2614
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✦ Synopsis
Calculations using large atomic natural orbital (ANO) basis sets and high levels of correlation treatment are employed to determine the radiative lifetime for the t= I-5 levels of the X 'Z+ state ofNO+. The theoretical lifetimes, which agree well with prewous theoretical estimates, are estimated to be accurate to 5%. These results strongly suggest that the recently measured radiative lifetimes for the u=2 and 3 levels are in error. Vibrationally excited NO+ ions are produced in the upper ionosphere by the ion-molecule reaction [II 0+(4S)+N2(X 'Eg+, vl) +NO+(X Ix+, r~r)fN(~S). Determining the internal energy distribution in the NO + ions requires knowledge of the transition probability coefficients for spontaneous emission, which in turn requires an accurate dipole moment function (DMF) for the X 'EC state of NO+. Knowledge of the internal energy distribution in NO+ may be important for modelling the flow field around reentry vehicles such as the aerospace transfer vehicle.
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