کد مقاله | کد نشریه | سال انتشار | مقاله انگلیسی | نسخه تمام متن |
---|---|---|---|---|
5428742 | 1508686 | 2013 | 6 صفحه PDF | دانلود رایگان |
- Accurate spectroscopic constants of these low-lying states of NS are obtained.
- TDM and radiative lifetime for the B2Î , Bâ²2Σ+ and G2Σâ states have been determined.
- The F-C factors of the B2Î are in good agreement with the corresponding RKR data.
- The Bâ²2Σ+ state possesses a barrier in the PECs, located at about 2.16 Ã
.
The low-lying electronic states (X2Î , a4Î , b4Σâ, B2Î , 12Φ, A2Î and Bâ²2Σ+) of the NS molecule are computed at the AV5Z/CASSCF/MRCI+Q+DK level of theory. The potential energy curves are presented for these states; the corresponding spectroscopic constants are reported. Electronic transition moment functions, Einstein coefficients, Franck-Condon factors and radiative lifetimes for the B2Î -X2Î , Bâ²2Σ+-X2Î and A2Î-X2Î system have been calculated. The F-C factors of the B2Î are in good agreement with the corresponding RKR data. The Bâ²2Σ+ state possesses a barrier in the potential energy curve, located at about 2.16 à . The height of the barrier is predicted to be 7890 cmâ1.
Journal: Journal of Quantitative Spectroscopy and Radiative Transfer - Volume 129, November 2013, Pages 193-198