INTECH   27907
INSTITUTO TECNOLOGICO DE CHASCOMUS
Unidad Ejecutora - UE
artículos
Título:
Spectroscopic and quantum chemical characterization of the ground and lowest electronically excited singlet and triplet states of halo- and nitro-harmines in aqueous media
Autor/es:
DENOFRIO, M. PAULA; OGILBY, PETER R.; VILLARRUEL, FERNANDO D.; WOLCAN, EZEQUIEL; ERRA-BALSELLS, ROSA; CABRERIZO, FRANCO M.
Revista:
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
Editorial:
ROYAL SOC CHEMISTRY
Referencias:
Lugar: CAMBRIDGE; Año: 2021 vol. 23 p. 11039 - 11051
ISSN:
1463-9076
Resumen:
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