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2.368 Aktuelle Fachpublikationen zum Thema temperature

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A novel strategy for reversible hydrogen storage in Ca(BH4)2

01.07.2015 | Yigang Yan; Arndt Remhof; Daniel Rentsch; Andreas Züttel; Santanab Giri; Puru Jena, Chemical Communication, 2015

We report that decomposition pathway of Ca(BH4)2 can be efficiently controlled by reaction temperature. That is, it decomposes into CaB6 at a lower temperature range of 320 to 350 °C, but into amorphous boron at 400 to 450 °C. We identified the formation of CaB2H6 as the crucial intermediate step ...


An approach for the rationalization of melting temperature for deep eutectic solvents from DFT

28.06.2015 | Author(s): Gregorio García , Mert Atilhan , Santiago Aparicio, Chemical Physics Letters, 2015

Publication date: 1 August 2015 Source:Chemical Physics Letters, Volume 634 Author(s): Gregorio García , Mert Atilhan , Santiago Aparicio Deep eutectic solvents are a new generation of solvents formed by the combination of an ionic compound with an hydrogen bond donor, which leads to a ...


The source of the differences in the IR spectral properties of the hydrogen bond in two isomeric thioamide crystals: Thioacetanilide and N-methylthiobenzamide

28.06.2015 | Author(s): Henryk T. Flakus , Barbara Hachuła , Edyta Turek , Anna Michta , Wioleta Śmiszek-Lindert , Piotr Lo ..., Chemical Physics Letters, 2015

Publication date: 1 August 2015 Source:Chemical Physics Letters, Volume 634 Author(s): Henryk T. Flakus , Barbara Hachuła , Edyta Turek , Anna Michta , Wioleta Śmiszek-Lindert , Piotr Lodowski This letter is devoted to the explanation of the differences between the IR spectral ...


Mild and Robust Redox‐Neutral Pd/C‐Catalyzed Lignol β‐O‐4′ Bond Cleavage Through a Low‐Energy‐Barrier Pathway

26.06.2015 | Maxim V. Galkin, Christian Dahlstrand, Joseph S. M. Samec, ChemSusChem, 2015

Abstract Invited for this month′s cover is the group of Joseph Samec at Uppsala University. The image shows that native lignin β‐O‐4′ bond model compounds react at very mild and accurately tuned redox‐neutral conditions while other models have higher hydrogen and temperature demands. The ...


Alloy 800H under supercritical water conditions: a flow reactor study of corrosion and hydrogen evolution

26.06.2015 | K. I. Choudhry, I. M. Svishchev, L. Orlovskaya, Materials and Corrosion, 2015

Hydrogen evolution and corrosion rates for an Alloy 800H flow‐through reactor operating under supercritical water conditions were determined. Experiments were performed in the temperature range of 650 to 750 °C both with deoxygenated feed water, with an O2 concentration of less than 10 μg L−1 ...


Stability and Decomposition of Ca‐Substituted Lanthanum Ferrite in Reducing Atmospheres

26.06.2015 | Patrick M. Price, Darryl P. Butt, Journal of the American Ceramic Society, 2015

Calcium‐substituted lanthanum ferrites (La1−xCaxFeO3−δ x=0, 0.1, 0.2, 0.3, 0.4) were synthesized in air and subsequently decomposed in reducing atmospheres. The partial pressure of oxygen () was controlled by varying the H2/H2O ratio by bubbling hydrogen/argon mixtures through water baths at ...


Crystal Structure, Cytotoxicity and Interaction with DNA of Zinc (II) Complexes with o-Vanillin Schiff Base Ligands

26.06.2015 | Mei-Ju Niu et al., PLoS ONE, 2015

by Mei-Ju Niu, Zhen Li, Guo-Liang Chang, Xiang-Jin Kong, Min Hong, Qing-fu Zhang Two new zinc complexes, Zn(HL1)2 (1) and [Zn2(H2L2)(OAc)2]2 (2) [H2L1 = Schiff base derived from o-vanillin and (R)-(+)-2-amino-3-phenyl-1-propanol, H3L2 = Schiff base derived from o-vanillin and ...


Influence of Structural Fluctuations, Proton Transfer, and Electric Field on Polarization Switching of Supported Two-Dimensional Hydrogen-Bonded Oxocarbon Monolayers

26.06.2015 | Shuang Chen; Axel Enders; Xiao Cheng Zeng, Chemistry of Materials, 2015

The structural alignment, proton transfer, and molecular dipole under an electric field and as a function of simulation time have been investigated computationally for experimentally observed two-dimensional sheets of croconic acid (CA) on Ag(111) surface and rhodizonic acid (RA) molecules on ...


Spatial and Orientational Structure of the Hydration Shell of Benzene in Sub- and Supercritical Water

25.06.2015 | Ashu Choudhary; Amalendu Chandra, Journal of Physical Chemistry B, 2015

The spatial and orientational structure of the solvation shell of benzene in sub- and supercritical water are investigated by means of molecular dynamics simulations. The present study reveals different local organization of water molecules at different parts of the solute. The π-hydrogen-bonding ...


First Evidence of Rh Nano-Hydride Formation at Low Pressure

24.06.2015 | Claudia Zlotea; Yassine Oumellal; Mariem Msakni; Julie Bourgon; Stéphane Bastide; Christine Cachet-Vivier; Michel La ..., Nano Letters, 2015

Rh-based nanoparticles supported on a porous carbon host were prepared with tunable average sizes ranging from 1.3 to 3.0 nm. Depending on the vacuum or hydrogen environment during thermal treatment, either Rh metal or hydride is formed at nanoscale, respectively. In contrast to bulk Rh that can ...


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