Communication: Protonation process of formic acid from the ionization and fragmentation of dimers induced by synchrotron radiation in the valence region

The ionization and fragmentation of monomers of organic molecules have been extensively studied in the gas phase using mass spectroscopy. In the spectra of these molecules it is possible to identify the presence of protonated cations, which have a mass-to-charge ratio one unit larger than the parent...

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Bibliographic Details
Published in:The Journal of chemical physics 2016-04, Vol.144 (14), p.141101-141101
Main Authors: Arruda, Manuela S., Medina, Aline, Sousa, Josenilton N., Mendes, Luiz A. V., Marinho, Ricardo R. T., Prudente, Frederico V.
Format: Article
Language:English
Subjects:
Deuteration
DIMERS
EXPERIMENTAL DATA
FORMIC ACID
FRAGMENTATION
INORGANIC, ORGANIC, PHYSICAL AND ANALYTICAL CHEMISTRY
Ionization
Ions
MASS SPECTROSCOPY
Organic chemistry
Photoionization
Photons
Physics
Protonation
Spectrum analysis
SYNCHROTRON RADIATION
TIME-OF-FLIGHT MASS SPECTROMETERS
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Summary:The ionization and fragmentation of monomers of organic molecules have been extensively studied in the gas phase using mass spectroscopy. In the spectra of these molecules it is possible to identify the presence of protonated cations, which have a mass-to-charge ratio one unit larger than the parent ion. In this work, we investigate this protonation process as a result of dimers photofragmentation. Experimental photoionization and photofragmentation results of doubly deuterated formic acid (DCOOD) in the gas phase by photons in the vacuum ultraviolet region are presented. The experiment was performed by using a time-of-flight mass spectrometer installed at the Brazilian Synchrotron Light Laboratory and spectra for different pressure values in the experimental chamber were obtained. The coupled cluster approach with single and double substitutions was employed to assist the experimental analysis. Results indicate that protonated formic acid ions are originated from dimer dissociation, and the threshold photoionization of (DCOOD)⋅D+ is also determined.
ISSN:0021-9606
1089-7690
DOI:10.1063/1.4945807