Modeling and spectral simulation of formic acid dimer in Ar matrix using ONIOM calculations

2019 ◽  
Vol 1161 ◽  
pp. 18-25 ◽  
Author(s):  
Fumiyuki Ito
Keyword(s):  
Formic Acid ◽  
Spectral Simulation ◽  
Oniom Calculations

NANOELECTROCATALYSTS BASED PALLADIUM FOR FUEL CELLS WITH DIRECT OXIDATION OF FORMIC ACID

2019 ◽  
Vol 6 (3) ◽  
pp. 104-107
Author(s):  
Marina Vladimirovna Lebedeva ◽  
Alexey Petrovich Antropov ◽  
Alexander Victorovich Ragutkin ◽  
Nicolay Andreevich Yashtulov
Keyword(s):  
Formic Acid ◽  
Palladium Nanoparticles ◽  
Oxidation Reaction ◽  
Electrode Materials ◽  
Formic Acid Oxidation ◽  
Energy Sources ◽  
Acid Oxidation ◽  
Direct Oxidation ◽  
Atomic Force ◽  
Formic Acid Oxidation Reaction

In paper electrode materials with palladium nanoparticles on polymer matrix substrates for energy sources have been formed. Nanocomposites were investigated by atomic force and scanning electron microscopy. The catalytic activity of formed electrodes in the formic acid oxidation reaction was evaluated by voltammetry method.

THE JET-COOLED HIGH-RESOLUTION IR SPECTRUM OF FORMIC ACID CYCLIC DIMER

2017 ◽  
Author(s):  
Manuel Goubet ◽  
Robert Georges ◽  
P. Roy ◽  
Atef Jabri ◽  
Pascale Soulard ◽  
...  
Keyword(s):  
High Resolution ◽  
Formic Acid ◽  
Ir Spectrum ◽  
Cyclic Dimer

PURE ROTATIONAL SPECTRUM OF THE "NON-POLAR" DIMER OF FORMIC ACID

2017 ◽  
Author(s):  
Weixing Li ◽  
Walther Caminati ◽  
Rolf Meyer ◽  
Qian Gou ◽  
Luca Evangelisti
Keyword(s):  
Formic Acid ◽  
Rotational Spectrum

CONJUGATED OESTROGENS. I

1963 ◽  
Vol 43 (3) ◽  
pp. 345-360 ◽  
Author(s):  
Stanley Kushinsky ◽  
Jane (Wu) Tang
Keyword(s):  
Molecular Weight ◽  
Formic Acid ◽  
Ethyl Acetate ◽  
High Molecular Weight ◽  
Secondary Amine ◽  
Aqueous Ammonia ◽  
Organic Solution ◽  
Extraneous Material

ABSTRACT A convenient and mild procedure is described in this paper whereby free and conjugated oestrogens may be extracted from urine. The extracts containing approximately 90 per cent of the oestrogens are devoid of most of the extraneous material and may be reduced in volume to less than 1/15 of that of the urine. The procedure consists of the following steps: (1) a 10 per cent (v/v) solution of a high molecular weight secondary amine (Amberlite LA-2, Rohm and Haas) in ethyl acetate is washed with formic acid and water, (2) the oestrogens in urine (acidified to pH 2 or 3 with H2SO4) are extracted with the LA-2 solution, (3) the oestrogen fraction is back-extracted from the organic solution with dilute aqueous ammonia.

Effect of Formic Acid on Corrosion Behavior of STBA24 Low-Alloyed Steel and Its Weldment in Simulated Boiler Water Containing Chloride Ions

2020 ◽  
Vol 61 (9) ◽  
pp. 1775-1781
Author(s):  
Li-Bin Niu ◽  
Shoichi Kosaka ◽  
Masaki Yoshida ◽  
Yusuke Suetake ◽  
Kazuo Marugame
Keyword(s):  
Formic Acid ◽  
Corrosion Behavior ◽  
Chloride Ions ◽  
Alloyed Steel ◽  
Boiler Water ◽  
Low Alloyed Steel

Photochemical and Electrochemical Reduction of Carbon Dioxide Catalyzed by a Polyoxometalate-Organic Photosensitizer Complex

2018 ◽  
Author(s):  
Chandan Dey ◽  
Ronny Neumann
Keyword(s):  
Carbon Dioxide ◽  
Cyclic Voltammetry ◽  
Formic Acid ◽  
Electrochemical Reduction ◽  
Mass Spectroscopy ◽  
Photochemical Reactions ◽  
Reducing Agent ◽  
Covalent Attachment ◽  
Hybrid Complex ◽  
Open Face

<p>A manganese substituted Anderson type polyoxometalate, [MnMo<sub>6</sub>O<sub>24</sub>]<sup>9-</sup>, tethered with an anthracene photosensitizer was prepared and used as catalyst for CO<sub>2</sub> reduction. The polyoxometalate-photosensitizer hybrid complex, obtained by covalent attachment of the sensitizer to only one face of the planar polyoxometalate, was characterized by NMR, IR and mass spectroscopy. Cyclic voltammetry measurements show a catalytic response for the reduction of carbon dioxide, thereby suggesting catalysis at the manganese site on the open face of the polyoxometalate. Controlled potentiometric electrolysis showed the reduction of CO<sub>2</sub> to CO with a TOF of ~15 sec<sup>-1</sup>. Further photochemical reactions showed that the polyoxometalate-anthracene hybrid complex was active for the reduction of CO<sub>2</sub> to yield formic acid and/or CO in varying amounts dependent on the reducing agent used. Control experiments showed that the attachment of the photosensitizer to [MnMo<sub>6</sub>O<sub>24</sub>]<sup>9-</sup> is necessary for photocatalysis.</p><div><br></div>

Water Gas May Not Shift in Deep Earth

2020 ◽  
Author(s):  
Nore Stolte ◽  
Junting Yu ◽  
Zixin Chen ◽  
Dimitri A. Sverjensky ◽  
Ding Pan
Keyword(s):  
Formic Acid ◽  
Upper Mantle ◽  
Free Energy Calculations ◽  
Water Gas Shift ◽  
Ab Initio Molecular Dynamics ◽  
Water Gas Shift Reaction ◽  
Carbon Carrier ◽  
Deep Earth ◽  
Shift Reaction ◽  
Water Gas

The water-gas shift reaction is a key reaction in Fischer-Tropsch-type synthesis, which is widely believed to generate hydrocarbons in the deep carbon cycle, but is little known at extreme pressure-temperature conditions found in Earth’s upper mantle. Here, we performed extensive ab initio molecular dynamics simulations and free energy calculations to study the water-gas shift reaction. We found the direct formation of formic acid out of CO and supercritical water at 10∼13 GPa and 1400 K without any catalyst. Contrary to the common assumption that formic acid or formate is an intermediate product, we found that HCOOH is thermodynamically more stable than the products of the water-gas shift reaction above 3 GPa and at 1000∼1400 K. Our study suggests that the water-gas shift reaction may not happen in Earth’s upper mantle, and formic acid or formate may be an important carbon carrier, participating in many geochemical processes in deep Earth.<br>

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