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

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 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.

Electro-oxidation of formic acid catalyzed by FePt nanoparticles

2006 ◽  
Vol 8 (23) ◽  
pp. 2779 ◽  
Author(s):  
Wei Chen ◽  
Jaemin Kim ◽  
Shouheng Sun ◽  
Shaowei Chen
Keyword(s):  
Formic Acid ◽  
Fept Nanoparticles ◽  
Electro Oxidation ◽  
Acid Catalyzed

Synthetic and Mechanistic Aspects of Acid-Catalyzed Disproportionation of Dialkyl Diarylmethyl Ethers: A Combined Experimental and Theoretical Study

2009 ◽  
Vol 2009 (25) ◽  
pp. 4346-4351 ◽  
Author(s):  
Margherita Barbero ◽  
Stefano Bazzi ◽  
Silvano Cadamuro ◽  
Stefano Dughera ◽  
Giovanni Ghigo
Keyword(s):  
Theoretical Study ◽  
Acid Catalyzed

Acid-catalyzed Solvolysis of Isonitriles. I

1971 ◽  
Vol 49 (14) ◽  
pp. 2455-2459 ◽  
Author(s):  
Y. Y. Lim ◽  
A. R. Stein
Keyword(s):  
Formic Acid ◽  
Acid Catalysis ◽  
Hydrolysis Product ◽  
Rate Dependence ◽  
Linear Rate ◽  
First Order ◽  
Methyl Amine ◽  
Acid Catalyzed ◽  
Pseudo First Order ◽  
Hydrolysis Of

The acid-catalyzed hydrolysis of methyl isonitrile has been examined. The initial hydrolysis product is N-methylformamide which is further hydrolyzed to methyl amine and formic acid at a much slower rate. The hydrolysis to N-methylformamide is pseudo-first order in methyl isonitrile and shows a linear rate dependence on concentration of general (buffer) acid at fixed pH. The significance of general acid-catalysis in terms of the mechanism of the hydrolysis is considered and taken as evidence for carbon protonation rather than nitrogen protonation as the initiating step.

Theoretical study of solvent effects on the decomposition of formic acid over a Co(111) surface

2017 ◽  
Vol 42 (39) ◽  
pp. 24726-24736 ◽  
Author(s):  
Xinbao Li ◽  
Yingying Zhu ◽  
Geng Chen ◽  
Guohua Yang ◽  
Zan Wu ◽  
...  
Keyword(s):  
Formic Acid ◽  
Solvent Effects ◽  
Theoretical Study
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