scholarly journals Theoretical kinetic study of the formic acid catalyzed Criegee intermediate isomerization: multistructural anharmonicity and atmospheric implications

2018 ◽  
Vol 20 (16) ◽  
pp. 10806-10814 ◽  
Author(s):  
M. Monge-Palacios ◽  
Matti P. Rissanen ◽  
Zhandong Wang ◽  
S. Mani Sarathy
Keyword(s):  
Carbon Atom ◽  
Formic Acid ◽  
Kinetic Study ◽  
Theoretical Study ◽  
Isomerization Reaction ◽  
Hydrogen Shift ◽  
Acid Catalyzed ◽  
Double Hydrogen

We performed a theoretical study on the double hydrogen shift isomerization reaction of a six carbon atom Criegee intermediate (C6-CI), catalyzed by formic acid (HCOOH), to produce vinylhydroperoxide (VHP), C6-CI + HCOOH → VHP + HCOOH.

Formic Acid Catalyzed Gas-Phase Reaction of H2O with SO3 and the Reverse Reaction: A Theoretical Study

ChemPhysChem ◽  
2011 ◽  
Vol 13 (1) ◽  
pp. 323-329 ◽  
Author(s):  
Bo Long ◽  
Zheng-wen Long ◽  
Yi-bo Wang ◽  
Xing-feng Tan ◽  
Yu-hua Han ◽  
...  
Keyword(s):  
Formic Acid ◽  
Gas Phase ◽  
Theoretical Study ◽  
Reverse Reaction ◽  
Phase Reaction ◽  
Gas Phase Reaction ◽  
Acid Catalyzed

Theoretical Study on the Mechanism of Aqueous Synthesis of Formic Acid Catalyzed by [Ru3+]-EDTA Complex

2015 ◽  
Vol 54 (4) ◽  
pp. 1314-1324 ◽  
Author(s):  
Zhe-Ning Chen ◽  
Kwong-Yu Chan ◽  
Jayasree K. Pulleri ◽  
Jing Kong ◽  
Hao Hu
Keyword(s):  
Formic Acid ◽  
Theoretical Study ◽  
Edta Complex ◽  
Aqueous Synthesis ◽  
Acid Catalyzed

Benzyl ethers of methyl α-D-glucopyranoside

1980 ◽  
Vol 45 (7) ◽  
pp. 1959-1963 ◽  
Author(s):  
Dušan Joniak ◽  
Božena Košíková ◽  
Ludmila Kosáková
Keyword(s):  
Kinetic Study ◽  
Spectrophotometric Determination ◽  
Reductive Cleavage ◽  
Ether Bond ◽  
Benzyl Ethers ◽  
Acid Catalyzed ◽  
Model Substances ◽  
Hydrolysis Of

Methyl 4-O-(3-methoxy-4-hydroxybenzyl) and methyl 4-O-(3,5-dimethoxy-4-hydroxybenzyl)-α-D-glucopyranoside and their 6-O-isomers were prepared as model substances for the ether lignin-saccharide bond by reductive cleavage of corresponding 4,6-O-benzylidene derivatives. Kinetic study of acid-catalyzed hydrolysis of the compounds prepared was carried out by spectrophotometric determination of the benzyl alcoholic groups set free, after their reaction with quinonemonochloroimide, and it showed the low stability of the p-hydroxybenzyl ether bond.

Theoretical study on adsorption and reaction of polymeric formic acid on the Cu(111) surface

2021 ◽  
Vol 5 (7) ◽  
Author(s):  
Septia Eka Marsha Putra ◽  
Fahdzi Muttaqien ◽  
Yuji Hamamoto ◽  
Kouji Inagaki ◽  
Akitoshi Shiotari ◽  
...  
Keyword(s):  
Formic Acid ◽  
Theoretical Study

scholarly journals Prebiotic Route to Thymine from Formamide—A Combined Experimental–Theoretical Study

Molecules ◽  
2021 ◽  
Vol 26 (8) ◽  
pp. 2248
Author(s):  
Lukáš Petera ◽  
Klaudia Mrazikova ◽  
Lukas Nejdl ◽  
Kristyna Zemankova ◽  
Marketa Vaculovicova ◽  
...  
Keyword(s):  
Formic Acid ◽  
Quantum Chemical ◽  
Prebiotic Chemistry ◽  
Theoretical Study ◽  
Reaction Pathway ◽  
Hydrolysis Product ◽  
Current Paper ◽  
Reaction Conditions ◽  
Chemical Modeling ◽  
Chemistry Research

Synthesis of RNA nucleobases from formamide is one of the recurring topics of prebiotic chemistry research. Earlier reports suggest that thymine, the substitute for uracil in DNA, may also be synthesized from formamide in the presence of catalysts enabling conversion of formamide to formaldehyde. In the current paper, we show that to a lesser extent conversion of uracil to thymine may occur even in the absence of catalysts. This is enabled by the presence of formic acid in the reaction mixture that forms as the hydrolysis product of formamide. Under the reaction conditions of our study, the disproportionation of formic acid may produce formaldehyde that hydroxymethylates uracil in the first step of the conversion process. The experiments are supplemented by quantum chemical modeling of the reaction pathway, supporting the plausibility of the mechanism suggested by Saladino and coworkers.

A Kinetic Study of the Thermal Isomerization of and Related Complexes

1975 ◽  
Vol 53 (12) ◽  
pp. 1735-1738 ◽  
Author(s):  
William R. Cullen ◽  
Frank L. Hou
Keyword(s):  
Kinetic Study ◽  
Thermal Isomerization ◽  
Isomerization Reaction ◽  
Kinetics Of

The kinetics of the unimolecular isomerization reaction[Formula: see text]have been studied. The ΔH≠ values in kcal mol−1 are 36.8 ± 2.0 (M = M′ = Mn ), 46.8 ± 0.5 (M = M′ = Re ), 39.2 ± 2.8 (M = Mn, M′ = Re ). The mechanism of the rearrangement is discussed.

Kinetic study of the photo-Fenton degradation of formic acid

2009 ◽  
Vol 144 (1-2) ◽  
pp. 117-123 ◽  
Author(s):  
Jorgelina Farias ◽  
Enrique D. Albizzati ◽  
Orlando M. Alfano
Keyword(s):  
Formic Acid ◽  
Kinetic Study
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