Ammonia–borane and amine–borane dehydrogenation mediated by complex metal hydrides
A Rossin, M Peruzzini - Chemical reviews, 2016 - ACS Publications
This review is a comprehensive survey of the last 10 years of research on ammonia–borane
and amine–borane dehydrogenation mediated by complex metal hydrides (CMHs), within …
and amine–borane dehydrogenation mediated by complex metal hydrides (CMHs), within …
Density functional theory methods applied to homogeneous and heterogeneous catalysis: a short review and a practical user guide
V Butera - Physical Chemistry Chemical Physics, 2024 - pubs.rsc.org
The application of density functional theory (DFT) methods in catalysis has been fast
growing in the last decades thanks to both the availability of more powerful high computing …
growing in the last decades thanks to both the availability of more powerful high computing …
Mechanistic Studies of the Dehydrocoupling and Dehydropolymerization of Amine–Boranes Using a [Rh(Xantphos)]+ Catalyst
HC Johnson, EM Leitao, GR Whittell… - Journal of the …, 2014 - ACS Publications
A detailed catalytic, stoichiometric, and mechanistic study on the dehydrocoupling of H3B·
NMe2H and dehydropolymerization of H3B· NMeH2 using the [Rh (Xantphos)]+ fragment is …
NMe2H and dehydropolymerization of H3B· NMeH2 using the [Rh (Xantphos)]+ fragment is …
Combining protons and hydrides by homogeneous catalysis for controlling the release of hydrogen from ammonia–borane: Present status and challenges
Ammonia–borane (AB) has been in the spotlight for its much touted potential as an onboard
vehicular hydrogen delivery material. Over the past decade, catalyzed dehydrogenation …
vehicular hydrogen delivery material. Over the past decade, catalyzed dehydrogenation …
The catalytic dehydrocoupling of amine–boranes and phosphine–boranes
Mechanistic studies into the catalysed dehydrocoupling of amine–boranes and phosphine–
boranes have seen a rapid development over the last 5 years. The primary driver for this …
boranes have seen a rapid development over the last 5 years. The primary driver for this …
Ammonia borane dehydrogenation promoted by a pincer-square-planar rhodium (I) monohydride: A stepwise hydrogen transfer from the substrate to the catalyst
MA Esteruelas, P Nolis, M Oliván, E Oñate… - Inorganic …, 2016 - ACS Publications
The pincer d8-monohydride complex RhH {xant (PiPr2) 2}(xant (PiPr2) 2= 9, 9-dimethyl-4, 5-
bis (diisopropylphosphino) xanthene) promotes the release of 1 equiv of hydrogen from …
bis (diisopropylphosphino) xanthene) promotes the release of 1 equiv of hydrogen from …
The Simplest Amino‐borane H2B=NH2 Trapped on a Rhodium Dimer: Pre‐Catalysts for Amine–Borane Dehydropolymerization
The μ‐amino–borane complexes [Rh2 (LR) 2 (μ‐H)(μ‐H2B= NHR′)][BArF4](LR= R2P
(CH2) 3PR2; R= Ph, iPr; R′= H, Me) form by addition of H3B⋅ NMeR′ H2 to [Rh (LR)(η6 …
(CH2) 3PR2; R= Ph, iPr; R′= H, Me) form by addition of H3B⋅ NMeR′ H2 to [Rh (LR)(η6 …
Unraveling the Crucial Role of Metal-Free Catalysis in Borazine and Polyborazylene Formation in Transition-Metal-Catalyzed Ammonia–Borane Dehydrogenation
S Bhunya, PM Zimmerman, A Paul - ACS Catalysis, 2015 - ACS Publications
Though the recent scientific literature is rife with experimental and theoretical studies on
transition-metal (TM)-catalyzed dehydrogenation of ammonia–borane (NH3· BH3) due to its …
transition-metal (TM)-catalyzed dehydrogenation of ammonia–borane (NH3· BH3) due to its …
Multiple metal-bound oligomers from Ir-catalysed dehydropolymerisation of H 3 B· NH 3 as probed by experiment and computation
Multiple metal-bound oligomers in the dehydropolymerisation of H3B· NH3 have been
observed by electrospray-ionisation mass spectrometry and NMR spectroscopy using the …
observed by electrospray-ionisation mass spectrometry and NMR spectroscopy using the …
Hydrogenation of CO 2 to methanol by the diphosphine–ruthenium (ii) cationic complex: a DFT investigation to shed light on the decisive role of carboxylic acids as …
In order to provide alternative paths for the CO2 conversion processes, we present a
quantum-chemical investigation of the CO2 hydrogenation to methanol catalyzed by the …
quantum-chemical investigation of the CO2 hydrogenation to methanol catalyzed by the …