Tropospheric Formation of Hydroxymethyl Hydroperoxide, Formic Acid, H2O2, and OH from Carbonyl Oxide in the Presence of Water Vapor: A Theoretical Study of the Reaction Mechanism

2001 ◽  
Vol 7 (10) ◽  
pp. 2227-2235 ◽  
Author(s):  
Ramon Crehuet ◽  
Josep M. Anglada ◽  
Josep M. Bofill
Keyword(s):  
Water Vapor ◽  
Reaction Mechanism ◽  
Formic Acid ◽  
Theoretical Study ◽  
Carbonyl Oxide

Aerobic oxidation of methanol to formic acid on Au20−: a theoretical study on the reaction mechanism

2012 ◽  
Vol 14 (9) ◽  
pp. 3103 ◽  
Author(s):  
Karan Bobuatong ◽  
Sangita Karanjit ◽  
Ryoichi Fukuda ◽  
Masahiro Ehara ◽  
Hidehiro Sakurai
Keyword(s):  
Reaction Mechanism ◽  
Formic Acid ◽  
Theoretical Study ◽  
Aerobic Oxidation ◽  
Oxidation Of Methanol

Theoretical study on the detailed reaction mechanisms of carbonyl oxide with formic acid

2009 ◽  
Vol 916 (1-3) ◽  
pp. 159-167 ◽  
Author(s):  
Bo Long ◽  
Jia-Rong Cheng ◽  
Xin-feng Tan ◽  
Wei-jun Zhang
Keyword(s):  
Formic Acid ◽  
Reaction Mechanisms ◽  
Theoretical Study ◽  
Carbonyl Oxide

Theoretical study of the ketonization reaction mechanism of acetic acid over SiO2

2009 ◽  
Author(s):  
Mendel Fleisher ◽  
E. Lukevics ◽  
L. Leite ◽  
D. Jansone ◽  
K. Edolfa ◽  
...  
Keyword(s):  
Acetic Acid ◽  
Reaction Mechanism ◽  
Theoretical Study

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.

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