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Transitional hydrogen bonds in aqueous perchlorate solution

10-Feb-2016 | Krzysztof Nieszporek; Przemysław Podkościelny; Jolanta Nieszporek, Physical Chemistry Chemical Physics, 2016

Different mechanisms of H-bond formation between perchlorate anions and water are presented using the molecular dynamics simulations. The detailed methods in searching for multi-centered hydrogen bonds are proposed. The time evolution of H-bond geometric parameters for classical, bifurcated and ...


Insights into the Mechanistic Role of Diphenylphosphine Selenide, Diphenylphosphine, and Primary Amines in the Formation of CdSe Monomers

05-Feb-2016 | Ting Qi; Hua-Qing Yang; Dennis M. Whitfield; Kui Yu; Chang-Wei Hu, Journal of Physical Chemistry A, 2016

The formation mechanism of CdSe monomers from the reaction of cadmium oleate (Cd(OA)2) and SePPh2H in the presence of HPPh2 and RNH2 was studied systematically at the M06//B3LYP/6-31++G(d,p),SDD level in 1-octadecene solution. Herein, SePPh2H, HPPh2, and RNH2 act as hydrogen/proton donors with a ...


Correlations for Densities of Aqueous Electrolyte Solutions

02-Feb-2016 | Nguyen H. Nguyen; Fazle Hussain; Chau-Chyun Chen, Journal of Chemical & Engineering Data, 2016

We present simple %-level accuracy universal correlations for densities of aqueous electrolyte solutions at 298.15 K and 0.1 MPa. The developed expressions and parameters are based on 1032 experimental density data points for 56 aqueous single electrolyte solutions including chlorides, bromides, ...


2D Phosphorene as a Water Splitting Photocatalyst: A Review of Fundamentals to Applications

26-Jan-2016 | Mohammad Ziaur Rahman; Philip Kwong; Kenneth Davey; Shizhang Qiao, Energy & Environmental Science, 2016

Hydrogen from direct splitting of water molecules using photons is reckoned to be a sustainable and renewable energy solution for the post fossil-fuel era. Efficient photocatalysts, including metal-free photocatalysts, are key determinants of cost-effective hydrogen generation at large-scale. The ...


Detection of weak hydrogen bonding to fluoro and nitro groups in solution using H/D exchange

26-Jan-2016 | C. R. Shugrue; J. R. DeFrancisco; A. J. Metrano; B. D. Brink; R. S. Nomoto; B. R. Linton, Organic & Biomolecular Chemistry, 2016

Hydrogen/deuterium (H/D) exchange can be a sensitive technique for measuring the strength of hydrogen bonding to neutral organic nitro and fluoro groups. The slower rates of reaction in comparison to suitable controls suggest that hydrogen bonding is present, albeit rather weak.


Enhanced Catalytic Activities of Surfactant-Assisted Exfoliated WS2 Nanodots for Hydrogen Evolution

26-Jan-2016 | Xue Zhao; Xiao Ma; Jian Sun; Dehui Li; Xiurong Yang, ACS Nano, 2016

WS2 nanodots were prepared by liquid-phase exfoliation of bulk WS2 crystals in surfactant aqueous solution with the aid of ultrasonication. Their behaviors on catalyzing hydrogen evolution reaction (HER) were investigated after drop-casting them onto a glass carbon electrode. On the basis of the ...


Reductive amination of furfural to furfurylamine using aqueous ammonia solution and molecular hydrogen: an environmentally friendly approach

26-Jan-2016 | Maya Chatterjee; Takayuki Ishizaka; Hajime Kawanami, Green Chemistry, 2016

A simple and highly efficient method was developed for the transformation of furfural (a biomass derived aldehyde) to furfurylamine by reductive amination using an aqueous solution of ammonia and molecular hydrogen as an amine source and a reducing agent, respectively. By choosing a suitable ...


Electron microscopic visualization of complementary labeled DNA with platinum‐containing guanine derivative

25-Jan-2016 | Alexandre Loukanov, Chavdar Filipov, Polina Mladenova, Svetlin Toshev, Saim Emin, Microscopy Research and Technique, 2016

ABSTRACT The object of the present report is to provide a method for a visualization of DNA in TEM by complementary labeling of cytosine with guanine derivative, which contains platinum as contrast‐enhanced heavy element. The stretched single‐chain DNA was obtained by modifying double‐stranded ...


Enhancing the Electrospinnability of Low Molecular Weight Polymers Using Small Effective Cross-Linkers

25-Jan-2016 | Xiaoxiao Wang; Christian Pellerin; C. Geraldine Bazuin, Macromolecules, 2016

The electrospinning of continuous fibers normally requires the presence of a network of topological entanglements in solution, limiting the spinnability of low molecular weight polymers. Here, we show that a supramolecular approach can improve, and even render possible, the electrospinning of low ...


Vanadium Modification Effects on the (SiO2/MgO/MgCl2)•TiClx Ziegler–Natta Polyethylene Catalyst

22-Jan-2016 | Jingwen Wang, Ruihua Cheng, Xuelian He, Zhen Liu, Ning Zhao, Boping Liu, Macromolecular Reaction Engineering, 2016

A novel vanadium‐modified (SiO2/MgO/MgCl2)·TiClx Ziegler–Natta ethylene polymerization catalyst with much better catalytic performance is successfully developed. The catalyst is prepared by co‐impregnation of aqueous solution of water‐soluble magnesium and vanadium compounds on SiO2, and a ...


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