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Vibronic spectra of protonated hydroxypyridines: contributions of prefulvenic and planar structures
- Source :
- Physical Chemistry Chemical Physics, Physical Chemistry Chemical Physics, Royal Society of Chemistry, 2017, 19 (12), pp.8258-8268. ⟨10.1039/C6CP08623C⟩
- Publication Year :
- 2017
- Publisher :
- HAL CCSD, 2017.
-
Abstract
- International audience; Various hydroxypyridine derivatives are endogenous or synthetic photosensitizers which could contribute to solar radiation damage. The study of their excited states could lead to a better understanding of their action mechanisms. We present here the ultraviolet (UV) spectra of the protonated 2-, 3-and 4-hydroxypyridine. These spectra were obtained with an experimental device coupling an electrospray ion source with a cold quadrupole ion trap and a time of flight mass spectrometer. They display well resolved vibrational structures, with a clear influence of the position of the OH group. These results are interpreted with excited states calculations at the coupled cluster CC2 level.
- Subjects :
- [PHYS.PHYS.PHYS-OPTICS]Physics [physics]/Physics [physics]/Optics [physics.optics]
Chemistry
General Physics and Astronomy
02 engineering and technology
010402 general chemistry
021001 nanoscience & nanotechnology
Mass spectrometry
medicine.disease_cause
01 natural sciences
Ion source
0104 chemical sciences
Time of flight
Coupled cluster
Excited state
medicine
Vibronic spectroscopy
[PHYS.PHYS.PHYS-CHEM-PH]Physics [physics]/Physics [physics]/Chemical Physics [physics.chem-ph]
Physical and Theoretical Chemistry
Atomic physics
Quadrupole ion trap
0210 nano-technology
Ultraviolet
ComputingMilieux_MISCELLANEOUS
Subjects
Details
- Language :
- English
- ISSN :
- 14639076 and 14639084
- Database :
- OpenAIRE
- Journal :
- Physical Chemistry Chemical Physics, Physical Chemistry Chemical Physics, Royal Society of Chemistry, 2017, 19 (12), pp.8258-8268. ⟨10.1039/C6CP08623C⟩
- Accession number :
- edsair.doi.dedup.....ae3485ec09f867d8038bb588f638fe90
- Full Text :
- https://doi.org/10.1039/C6CP08623C⟩