Rovibronic bands of the A2B2X2B1 transition of C6H5O and C6D5O detected with cavity ringdown absorption near 1.15-1.32 µm

PHYS 689

Chi-Wen Cheng, Henryk Witek, and Yuan-Pern Lee, yplee@mail.nctu.edu.tw. Department of Applied Chemistry and Institute of Molecular Science, National Chiao Tung University, 1001, Ta-Hsueh Rd., Hsinchu, 30010, Taiwan

We have recorded rovibronic bands of C6H5O and C6D5O in their A2B2 <- X 2B2 transitions in the range 1.15-1.32 micrometer with the cavity ringdown technique. By comparison of simulated rovibronic contours and vibrational wavenumbers based on quantum-chemical calculations, we derived vibrational wavenumbers of the A 2B2 state, namely v12 = 948, v13 = 792, v14 = 417, v15 = 928, v16 = 867, v17 = 723, v18 = 680, and v19 = 499 cm-1 for C6H5O, and v12 = 772, v13 = 626, v14 = 365, v15 = 811, v17 = 599, v18 = 532, and v19 = 401 cm-1 for C6D5O, in good agreement with predictions from quantum-chemical calculations at the UB3LYP/aug-cc-PVDZ level.. Transitions involving vibrationally excited levels of v20 were also observed. A weak origin at 7681 cm-1 for the A <- X transition of C6H5O (7661 cm-1 for C6D5O) with c-type contour was also observed.