Prediction of the rovibrational emission spectroscopy of B2Σ+–X2Σ+ system in 12C17O+

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 Dυ′Dυ′, Dυ″Dυ″ are needed. Using the formula, the R11ee and R22ff branches of (0, 2) and (0, 3) transition bands in the B2Σ+–X2Σ+ system of 12C17O+ 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.

Graphical abstractFigure optionsDownload full-size imageDownload as PowerPoint slideHighlights► An analytical formula used to predict R-branch rovibrational transition spectral lines is proposed without using any mathematical approximation and physical model. It uses only 15 accurate known transition lines and rotational constants Dυ′Dυ′ and Dυ″Dυ″. ► The formula proposed can reproduce all known experimental rovibrational transition lines and the spectral line differences. ► The formula proposed can accurately predict the absent or the high-lying transition spectral lines that may not be available experimentally.