Computed lifetimes of metastable states of the NO2+ dication

The Journal of Chemical Physics
R BakováV Spirko

Abstract

Based on the ab initio potential energy, spin-orbit coupling, electronic transition dipole moment, and radial nonadiabatic coupling functions, the energy level positions, lifetimes, and radiative transition probabilities (Einstein A coefficients) have been determined for the lowest electronic states of NO2+ using the log-amplitude-phase, stabilization, and complex-scaling methods. The calculated characteristics are in reasonable agreement to the available experimental data, thus, evidencing the reliability of the theoretical predictions for the characteristics unobserved to date. With the exception of the v<or=2 vibrational states of the B 2Sigma+ electronic state, the calculated radiative lifetimes of the excited electronic states are longer than their predissociation lifetimes, hence, accounting for the failure of the attempts which have been made so far to observe any emission from the latter states.

References

Sep 1, 1994·Physical Review. a·V A MandelshtamN Moiseyev
Sep 20, 1993·Physical Review Letters·L H AndersenM Larsson
Aug 7, 1995·Physical Review Letters·M LundqvistB Wannberg
Jun 16, 2006·The Journal of Chemical Physics·T SedivcováJ Fiser
Nov 10, 2006·The Journal of Chemical Physics·T SedivcováJ Fiser
May 12, 2007·Physical Chemistry Chemical Physics : PCCP·Jana Roithová, Detlef Schröder

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Citations

Jul 17, 2009·Physical Chemistry Chemical Physics : PCCP·Agnes RévészJana Roithová
Sep 16, 2011·Physical Chemistry Chemical Physics : PCCP·R PüttnerK Ueda
Aug 16, 2011·Physical Chemistry Chemical Physics : PCCP·Michael A ParkesStephen D Price
Jun 7, 2011·The Journal of Chemical Physics·Petra Ruth Kaprálová-Ždánská
Sep 21, 2011·Physical Chemistry Chemical Physics : PCCP·Roland ThissenJean Lilensten
Oct 3, 2019·The Journal of Chemical Physics·O VoznyukE Wells

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