IR Spectroscopy of Gas Phase V(CO2)n+ Clusters: Solvation-Induced Electron Transfer and Activation of CO2

2013 ◽  
Vol 117 (45) ◽  
pp. 11490-11498 ◽  
Author(s):  
Allen M. Ricks ◽  
Antonio D. Brathwaite ◽  
Michael A. Duncan
Keyword(s):  
Electron Transfer ◽  
Ir Spectroscopy ◽  
Gas Phase

Electron Transfer and Ligand Addition to Atomic Mercury Cations in the Gas Phase:  Kinetic and Equilibrium Studies at 295 K

2006 ◽  
Vol 45 (24) ◽  
pp. 9646-9653 ◽  
Author(s):  
Xiang Zhao ◽  
Eric Flaim ◽  
Lise Huynh ◽  
Michael J. Y. Jarvis ◽  
Ping Cheng ◽  
...  
Keyword(s):  
Electron Transfer ◽  
Gas Phase ◽  
Equilibrium Studies ◽  
Ligand Addition ◽  
Atomic Mercury

scholarly journals Discrimination of patterns of N-acetylation in chitooligosaccharides by gas phase IR spectroscopy integrated to mass spectrometry

2017 ◽  
Vol 89 (9) ◽  
pp. 1349-1357 ◽  
Author(s):  
Jasper Wattjes ◽  
Baptiste Schindler ◽  
Stéphane Trombotto ◽  
Laurent David ◽  
Bruno M. Moerschbacher ◽  
...  
Keyword(s):  
Mass Spectrometry ◽  
Ir Spectroscopy ◽  
Gas Phase ◽  
Dimensional Analysis ◽  
Unique Combination ◽  
Structural Detail ◽  
Chitosan Oligosaccharides ◽  
Infra Red ◽  
Rapid Discrimination ◽  
Gas Phase Spectroscopy

AbstractWe propose a novel, bi-dimensional analysis of partially N-acetylated chitosan oligosaccharides based on gas phase Infra-Red spectroscopy integrated to mass spectrometry (MS). By providing simultaneously MS and IR fingerprints, this approach combines the advantages of MS with the refined structural detail offered by gas phase spectroscopy and provides robust signatures for the rapid discrimination of the patterns of N-acetylation. Four mono-N-deacetylated and two doubly-N-deacetylated chitosan tetramer standards with well-defined patterns of acetylation were produced and analyzed by IR integrated to MS. We show that each sequence displays a unique combination of MS and IR fingerprints, thus offering a rapid diagnostic for the pattern of acetylation without the need for reducing end labeling.

Theoretical insight into the substituent effects on the antioxidant properties of 8-hydroxyquinoline derivatives in gas phase and in polar solvents

2018 ◽  
Vol 96 (5) ◽  
pp. 453-458
Author(s):  
Anes El-Hadj Saïd ◽  
Sidi Mohamed Mekelleche ◽  
Taki-Eddine Ahmed Ardjani
Keyword(s):  
Electron Transfer ◽  
Gas Phase ◽  
Antioxidant Properties ◽  
Substituent Effects ◽  
Hydrogen Atom Transfer ◽  
Polar Solvents ◽  
Antioxidant Power ◽  
Theoretical Insight ◽  
Insight Into

The objective of this work is to perform a theoretical analysis of the antioxidant properties of a series of 8-hydroxyquinolines (8-HQs) to rationalize the available experimental results and to design new potent 8-HQ derivatives. The study was carried out in gas phase and in methanol at the DFT/B3LYP/ 6-311++G(d,p) computational level. The formation of stable ArO• radicals is discussed on the basis of different mechanisms, namely, hydrogen atom transfer (HAT), single electron transfer followed by proton transfer (SET-PT), and single proton loss electron transfer (SPLET). The obtained results show that the HAT mechanism is, thermodynamically, more favoured in gas phase, whereas the SPLET pathway is more favoured in polar solvents. The calculated thermochemical descriptors allow classification of the antioxidant power of the studied compounds.

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