Journal article
Interference effects in 1s → π* resonance excitation processes of the NO molecule



Publication Details
Authors:
Demekhin, P.; Omel'yanenko, D.; Sukhorukov, V.; Demekhina, L.; Werner, L.; Kielich, W.; Ehresmann, A.; Schmoranzer, H.; Schartner, K.
Publication year:
2008
Journal:
Journal of Structural Chemistry
Pages range:
S63-S72
Volume number:
49
Start page:
S63
End page:
S72
ISSN:
0022-4766

Abstract
A 1Π → X 1Σ+ fluorescence in the NO+ molecular ion observed after Auger decay of the 1s-1π* resonances of the N*O molecule and NO* was studied theoretically. The energies and probabilities of the transition between the vibrational levels of the electronic states, determining the excitation and Auger decay of the resonances of the nitrogen monoxide molecule and further radiation-induced decay of the NO+ molecular ion were calculated by the first principles method. Multiplet splitting of the resonances of N*O and NO* and interference of the amplitudes of excitation of the molecule through various vibrational levels of the intermediate resonance explain the observed dependences of the intensity of A 1Π(υ′) → X 1Σ+(υ″) fluorescence on the excitation radiation energy. The discrepancies between the calculated and experimental integrated intensities of fluorescence point to the necessity of studying cascade processes determined by radiation transitions in NO+, including dipole transitions with a changed net spin.


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