Prediction of the rovibrational emission spectroscopy of B2Σ(+)-X2Σ(+) system in 12C17O+

Spectrochim Acta A Mol Biomol Spectrosc. 2011 Dec;83(1):136-9. doi: 10.1016/j.saa.2011.08.002. Epub 2011 Aug 12.

Abstract

An analytical formula based on the Herzberg's conventional rovibrational energy levels for diatomic system is proposed by taking multiple differences of spectral lines to predict the R-branch high-lying rovibrational emission spectroscopy, where only 15 accurate known transition lines and rotational constants D(v'), D(v'') are needed. Using the formula, the R(11ee) and R(22ff) branches of (0, 2) and (0, 3) transition bands in the B(2)Σ(+)-X(2)Σ(+) system of (12)C(17)O(+) are studied. The results show that not only the relatively lower order rovibrational transition lines given by experiments are reproduced but also the higher and the absent spectral lines are correctly predicted for each band.

Publication types

  • Research Support, Non-U.S. Gov't

MeSH terms

  • Models, Chemical*
  • Spectroscopy, Fourier Transform Infrared / methods
  • Spectrum Analysis / methods*
  • Vibration