INSTITUTO TECNOLOGICO DE CHASCOMUS
Unidad Ejecutora - UE
Spectroscopic and quantum chemical characterization of the ground and lowest electronically excited singlet and triplet states of halo- and nitro-harmines in aqueous media
DENOFRIO, M. PAULA; OGILBY, PETER R.; VILLARRUEL, FERNANDO D.; WOLCAN, EZEQUIEL; ERRA-BALSELLS, ROSA; CABRERIZO, FRANCO M.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
ROYAL SOC CHEMISTRY
Lugar: CAMBRIDGE; Año: 2021 vol. 23 p. 11039 - 11051
Halogenated and nitro b-carboline (bCs) alkaloids have garnered increasing interest for their role in abroad range of biological, pharmacological and biotechnological processes. Addressing theirspectroscopic and photophysical properties provide tools to further explore the presence of thesealkaloids in complex biological matrices. In addition, these studies help to elucidate processes where these alkaloids are involved. The UV-visible and steady-state room temperature fluorescence of bromoand nitro-harmines in an aqueous environment at different pHs, low-temperature phosphorescence (at 77 K) and quantum yields of singlet oxygen production are reported herein. Singlet (S0 and S1) and triplet (T1) electronic states are further analyzed using density functional theory (DFT) and the results compared with experimental data. Data are discussed in the framework of potential biotechnological applications of these bC alkaloids