Spectroscopic data of the rotationally resolved LIF excitation spectra of the B 5Π – X 5Π transition of CrO

All of the experimentally known electronic states of the Cr group metal monoxides (CrO, MoO, and WO) have been presented in the paper. The optical spectra of the CrO molecule have been investigated in the gas phase through a combination of the laser-induced fluorescence (LIF) excitation and single-vibronic-level (SVL) emission spectroscopy in the supersonic expansion. The rotational constants of the vibronic electronic states, including X 5Π-1 (v′′ = 0 – 3), B 5Π-1 (v′ = 0 – 10), and B 5Π1 (v′ = 1, 5), and the vibrational constants of the spin-orbit components X 5Π-1,0,1 have been obtained. The molecular constants of the MoO and WO molecules have been summarized by reviewing the previous spectroscopic studies, and a comprehensive energy level diagram of the Cr group metal monoxides has been constructed. By comparing the electronic configurations, bond lengths, and vibrational frequencies of all the transition metal monoxides in the ground electronic state, the significance of the relativistic effect in the bonding of the 5d transition metal monoxides has been discussed.The file containing a figure and 16 tables is the related data of the article "Optical spectroscopy of CrO and electronic states of the Cr group metal monoxides" published in the journal of Chinese Physics B. The figure shows 16 rotationally resolved spectra of CrO, including the (0–10, 0), (0, 1), (1, 2), and (3, 3) bands of the B 5Π-1 – X 5Π-1 transition and the (1, 0) and (5, 0) bands of the B 5Π1 – X 5Π-1 transition. In the figure, the top (red) traces are obtained from the LIF experimental observation in the spectral range of 435-725 nm, and the bottom (black) traces are calculated from the molecular constants obtained from the rotational analysis. The tables list the positions of the rotational lines, which are identified by the experimental observation and corresponding calculation. To evaluate the quality of the calculation results, the residuals (Obs. – Calc.) are also provided in the tables.