Results 51 to 60 of about 47,782 (256)

The onset of dehydrogenation in solid Ammonia Borane, an ab-initio metadynamics study

, 2019
The discovery of effective hydrogen storage materials is fundamental for the progress of a clean energy economy. Ammonia borane ($\mathrm{H_3BNH_3}$) has attracted great interest as a promising candidate but the reaction path that leads from its solid ...
Parrinello, Michele, Polino, Daniela, Rizzi, Valerio, Russo, Nino, Sicilia, Emilia   +4 more
core   +1 more source

Reactivity of Amine/E(C6F5)3 (E = B, Al) Lewis Pairs toward Linear and Cyclic Acrylic Monomers: Hydrogenation vs. Polymerization

Molecules, 2015
This work reveals the contrasting reactivity of amine/E(C6F5)3 (E = B, Al) Lewis pairs toward linear and cyclic acrylic monomers, methyl methacrylate (MMA) and biorenewable γ-methyl-α-methylene-γ-butyrolactone (γMMBL).
Jiawei Chen, Eugene X.-Y. Chen
doaj   +1 more source

A combined "electrochemical-frustrated Lewis pair" approach to hydrogen activation: surface catalytic effects at platinum electrodes [PDF]

, 2014
Herein, we extend our “combined electrochemical–frustrated Lewis pair” approach to include Pt electrode surfaces for the first time. We found that the voltammetric response of an electrochemical–frustrated Lewis pair (FLP) system involving the B(C6F5)3 ...
Ashley, Ashley, Binding, Brown, Cauliez, Chapman, Chase, Chatgilialoglu, Compton, Croissant, de Leon, Duñach, Erker, Esteves, Fang, Farrell, Griller, Gritzner, Herrington, Holschumacher, Iwasita, Jutzi, Kolychev, Lawrence, Lawrence, Lawrence, LeSuer, Liu, Lu, Ma, Merino-Jiménez, Ménard, Mömming, Pedersen, Santos, Spies, Srivastava, Stephan, Stephan, Stephan, Stephan, Stephan, Sumerin, Tran, Travis, Welch, Welch, Whited, Zhang   +48 more
core   +2 more sources

Trialkylborane-Assisted CO_2 Reduction by Late Transition Metal Hydrides [PDF]

, 2011
Trialkylborane additives promote reduction of CO_2 to formate by bis(diphosphine) Ni(II) and Rh(III) hydride complexes. The late transition metal hydrides, which can be formed from dihydrogen, transfer hydride to CO_2 to give a formateborane adduct.
Bercaw, John E., Labinger, Jay A., Miller, Alexander J. M.   +2 more
core   +1 more source

Practical Enantioselective Reduction of Ketones Using Oxazaborolidine Catalysts Generated In Situ from Chiral Lactam Alcohols

Molecules, 2018
Oxazaborolidine catalyst (CBS catalyst) has been extensively used for catalytic borane reduction with a predictable absolute stereochemistry and high enantioselectivity.
Yasuhiro Kawanami, Ryo C. Yanagita
doaj   +1 more source

Thermodynamic Hydricity of Small Borane Clusters and Polyhedral closo-Boranes [PDF]

Molecules, 2020
Thermodynamic hydricity (HDAMeCN) determined as Gibbs free energy (ΔG°[H]−) of the H− detachment reaction in acetonitrile (MeCN) was assessed for 144 small borane clusters (up to 5 boron atoms), polyhedral closo-boranes dianions [BnHn]2−, and their lithium salts Li2[BnHn] (n = 5–17) by DFT method [M06/6-311++G(d,p)] taking into account non-specific ...
Igor E. Golub, Oleg A. Filippov, Vasilisa A. Kulikova, Natalia V. Belkova, Lina M. Epstein, Elena S. Shubina   +5 more
openaire   +3 more sources

High-pressure phase and transition phenomena in ammonia borane NH3BH3 from X-ray diffraction, Landau theory, and ab initio calculations

, 2009
Structural evolution of a prospective hydrogen storage material, ammonia borane NH3BH3, has been studied at high pressures up to 12 GPa and at low temperatures by synchrotron powder diffraction.
A. Spek, Andriy H. Nevidomskyy, B. Peng, Dmitry Chernyshov, H. T. Stokes, J. E. Dennis, P. Toledano, R. G. Parr, V. I. Bakhmutov, Vladimir Dmitriev, Yaroslav Filinchuk, Yu. A. Izyumov   +11 more
core   +1 more source

Exploring structural and electronic effects in three isomers of tris{bis(trifluoromethyl)phenyl}borane: Towards the combined electrochemical-frustrated Lewis pair activation of H2 [PDF]

, 2015
Three structural isomers of tris{bis(trifluoromethyl)phenyl}borane have been studied as the acidic com- ponent of frustrated Lewis pairs. While the 3,5-substituted isomer is already known to heterolytically cleave H2 to generate a bridging-hydride; ortho-
Andrew E. Ashley, Becke, Binding, Bourhis, Chapman, Chase, Chernichenko, Clark, Coles, Cornet, Dolomanov, Elliot J. Lawrence, Farrell, Fulmer, Gregory G. Wildgoose, Hariharan, Heiden, Herrington, Katie Resner, Kolychev, Konze, Lancaster, Lawrence, Lawrence, Lawrence, Lawrence, Lee, LeSuer, Lu, Mahdi, McDaniel, Melen, Ménard, Ménard, Palatinus, Palatinus, Palatinus, Robin J. Blagg, Rokob, Scott, Scott, Sheldrick, Sheldrick, Sivaev, Stephan, Stephan, Stephan, Stephan, Stephan, Stephan, Thomas J. Herrington, Vasily S. Oganesyan, Wang, Welch, Wu, Xu   +55 more
core   +1 more source

Macropolyhedral boron-containing cluster chemistry: two-electron variations in intercluster bonding intimacy. Contrasting structures of 19-vertex [(eta(5)-C5Me5)HIrB18H19(PHPh2)] and [(eta(5) -C5Me5)IrB18H18(PH2Ph)] [PDF]

, 2004
Fused double-cluster [(5-C5Me5)IrB18H18(PH2Ph)]8, from syn-[(5-C5Me5)IrB18H20] 1 and PH2Ph, retains the three-atoms-in-common cluster fusion intimacy of 1, in contrast to [(5-C5Me5)HIrB18H19(PHPh2)]6, from PHPh2 with 1, which exhibits an opening to a ...
Jelínek, T., Kennedy, J.D., Perera, S.D., Shea, S.L., Stibr, B., Thornton-Pett, M.   +5 more
core   +1 more source

Predicting Absorption-Distribution Properties of Neuroprotective Phosphine-Borane Compounds Using In Silico Modeling and Machine Learning

Molecules, 2021
Phosphine-borane complexes are novel chemical entities with preclinical efficacy in neuronal and ophthalmic disease models. In vitro and in vivo studies showed that the metabolites of these compounds are capable of cleaving disulfide bonds implicated in ...
Raheem Remtulla, Sanjoy Kumar Das, Leonard A. Levin   +2 more
doaj   +1 more source