LIF excitation spectra for S0→S1 transition of anthranilic acid: Detailed studies

LIF excitation spectra for S0→S1 transition of deuterated anthranilic acid COOD, ND2 in supersonic-jet expansion

“…Helium at 4 bars dried using a liquid nitrogen trap was used as carrier gas. At these conditions the monomer species of anthranilic acid dominate, and therefore dimer bands are negligibly weak, as shown in our previous work [13].…”

“…This frequency range comprises most of the information concerning fundamental bands active in the LIF excitation spectrum. The farther range in the spectrum of the non-deuterated species showed a rather complex pattern due to large abundance of overtones and combinations of the strong fundamentals [13]. In the spectrum of the AA-d 3 , traces of 6 partially deuterated species are also present.…”

“…The spectrum of the deuterated anthranilic acid is shown on The modes are ordered according to increasing frequencies, so that consistency with the previously used notation [13,14] is maintained.…”

“…S 1 transition of anthranilic acid molecules deuterated in the substituent groups (COOD, ND 2 ) was investigated. The examination of the alternative assignments proposed in earlier studies [1,4,13,14] based on the of deuteration shifts as well as the PED's and overlaps of the modes active in the LIF spectra and and the experimental anharmonicity pattern are presented.…”

“…Recently, a better resolved LIF excitation spectrum of anthranilic acid was studied by Kolek et al [13]. Based on this spectrum, and with the aid of the ab initio (HF, CIS) as well as TD-DFT calculations, an estimation of geometry change upon the electronic excitation using multidimensional Franck-Condon factors were done by Leśniewski et al [14].…”