Cobalt–Nickel Catalysts for Selective Hydrogenation of Carbon Dioxide into Ethanol.
Ling-Xiang Wang, Erjia Guan, Zhiqiang Wang, Liang Wang, Zhongmiao Gong, Yi Cui, Zhiyuan Yang, Chengtao Wang, Jian Zhang, Xiangju Meng, Peijun Hu, Xue-Qing Gong, Bruce C.Monitoring a Mechanochemical Reaction Reveals the Formation of a New ACC Defect Variant Containing the HCO3– Anion Encapsulated by an Amorphous Matrix. Asta, Alejandro Fernandez-Martinez, Martin Panthöfer, Anke Kabelitz, Franziska Emmerling, Mihail Mondeshki, Wolfgang Tremel. The Journal of Physical Chemistry A 2021, 125 Sol (ECX– = NCSe–, AsCSe–, and AsCS– Sol = H2O, CH3CN).Photoelectron Spectroscopy and Theoretical Study on Monosolvated Cyanate Analogue Clusters ECX– Qinqin Yuan, Wenjin Cao, Marat Valiev, Xue-Bin Wang.Potential- and Time-Dependent Dynamic Nature of an Oxide-Derived PdIn Nanocatalyst during Electrochemical CO2 Reduction. Debabrata Bagchi, Shreya Sarkar, Ashutosh Kumar Singh, Chathakudath P.This article is cited by 118 publications. Similarities and differences with the infrared spectrum of aqueous bicarbonate are discussed in light of these trends. Binding of a water to the hydroxyl group of HCO 3 − is particularly disfavored and apparently does not occur in any of the clusters investigated here. Starting at n = 6, additional solvent molecules are found to form a second hydration layer, resulting in a water−water network bound to the CO 2 moiety of the bicarbonate anion. The binding motif in the most stable isomer of the n = 4 cluster, a four-membered ring with each water forming a single H-bond with the CO 2 moiety, is retained in all of the lowest-energy isomers of the larger clusters. However, a maximum of four water molecules interact directly with this site. The most important of these is the strong preference of the water molecules to bind to the negatively charged CO 2 moiety of the HCO 3 − anion. General trends in the stepwise solvation motifs of the bicarbonate anion can be deduced from the overall agreement between the calculated and experimental spectra. In addition, electronic structure calculations at the MP2/6-311+G(d,p) level have been performed on the n = 1−8 clusters to identify the structure of the low-lying isomers and to assign the observed spectral features.
#MAGNESIUM CARBONATE NIST WEBOOK FREE#
The NIST Chemistry WebBook (see link below) is an online resource that contains standard enthalpy of formation for various compounds along with the standard absolute entropy for these compounds from which the standard Gibbs free energy of formation can be calculated.Infrared multiple photon dissociation spectra are reported for HCO 3 −(H 2O) 1−10 clusters in the spectral range of 600−1800 cm −1.
Far more extensive tables can be found in the CRC Handbook of Chemistry and Physics and the NIST JANAF tables. The table below lists the standard Gibbs function of formation for several elements and chemical compounds and is taken from Lange's Handbook of Chemistry. The standard Gibbs free energy of formation ( G f°) of a compound is the change of Gibbs free energy that accompanies the formation of 1 mole of a substance in its standard state from its constituent elements in their standard states (the most stable form of the element at 1 bar of pressure and the specified temperature, usually 298.15 K or 25 ☌).
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