Vibronic spectra of jet-cooled 1-methyl-2(1H)-quinolinone studied by Fluorescence spectroscopy and Quantum chemical calculation.

Abstract

1-methyl-2(1H)-quinolinone (MeQone) forms the framework of several hundred quinolone alkaloid molecules, both natural and synthetic, which are being used in various biological applications. In this work, we present experimental and theoretical spectroscopic investigation on the MeQone in its ground and first electronic excited states. The vibronically resolved fluorescence excitation (FE) spectrum of MeQone is recorded within 700cm-1 to the electronic origin under the supersonic jet-cooled condition. The dispersed fluorescence (DF) spectra for bands observed in the FE spectrum were also recorded. Bands observed in DF spectra were identified and assigned with the help of Density Functional Theory (DFT) calculated harmonic vibrational frequencies. Based on the assignments of bands in the ground electronic state and TD-DFT calculated frequencies for the first excited state, we have identified and successfully assigned the bands observed in FE spectrum. This study could be helpful to understand the photophysical properties of MeQone derivatives, the quinolone alkaloids.