Probing the Origins of Puzzling Reactivity in Fe/Mn–Oxo/Hydroxo Species toward C–H Bonds: A DFT and Ab Initio Perspective
Activation of C–H bonds using an earth-abundant metal catalyst is one of the top challenges
of chemistry, where high-valent Mn/Fe–oxo (hydroxo) biomimic species play an important …
of chemistry, where high-valent Mn/Fe–oxo (hydroxo) biomimic species play an important …
Understanding the Influence of Lewis Acids on CO2 Hydrogenation: The Critical Effect Is on Formate Rotation
L Pavlovic, KH Hopmann - Organometallics, 2023 - ACS Publications
Lewis acids (LAs) have been shown to accelerate hydrogenation of CO2, but the underlying
mechanistic details remain to be elucidated. We have employed computational methods to …
mechanistic details remain to be elucidated. We have employed computational methods to …
Hydroboration Reduction of CO2 Catalyzed by a Doubly Reduced Arylborane: DFT Insight into Double Active-Site and CO2 Self-Promoting Single Active-Site …
L Zhang, M Lei, Z Cao - ACS Catalysis, 2023 - ACS Publications
Hydroboration reduction of CO2 by HBpin catalyzed by ambiphilic boron centers, a doubly
reduced 9, 10-dimethyl-9, 10-dihydro-9, 10-diboraanthracene [DBA-Me2] 2–(A0) and its …
reduced 9, 10-dimethyl-9, 10-dihydro-9, 10-diboraanthracene [DBA-Me2] 2–(A0) and its …
Iron-Catalyzed Selective Hydroboration of CO2 by Cooperative B–H Bond Activation
H Gao, J Jia, CH Tung, W Wang - Organometallics, 2023 - ACS Publications
We report a novel iron (II) complex supported by an anionic phosphanyl-iminopyridinate
ligand, Cp* Fe (Cy2PN═ C5H4N)(1), which shows remarkable catalytic activity in the …
ligand, Cp* Fe (Cy2PN═ C5H4N)(1), which shows remarkable catalytic activity in the …
Kinetic Isotope Effects and the Mechanism of CO2 Insertion into the Metal-Hydride Bond of fac-(bpy)Re(CO)3H
M Barakat, S Elhajj, R Yazji, AJM Miller… - Inorganic …, 2024 - ACS Publications
The 1, 2-insertion reaction of CO2 into metal–hydride bonds of d6-octahedral complexes to
give κ1-O-metal-formate products is the key step in various CO2 reduction schemes and as …
give κ1-O-metal-formate products is the key step in various CO2 reduction schemes and as …
A tetranuclear Er (III)-based cluster with bifunctional properties: Efficient conversion of CO2 and slow magnetic relaxation behavior
JY Zhao, C Yang, XY Bian, J Qiu, SY Ren… - Inorganica Chimica Acta, 2023 - Elsevier
A new Er 4 cluster [Er 4 (NO 3) 2 (acac) 4 (L) 2 (CH 3 OH) 2]· 2CH 3 CN (1)(H 4 L=(E)-2-
(hydroxymethyl)-2-(((2-hydroxynaphthalen-1-yl) methylene) amino) propane-1, 3-diol, and …
(hydroxymethyl)-2-(((2-hydroxynaphthalen-1-yl) methylene) amino) propane-1, 3-diol, and …
Non-covalent interactions in molecular architectures and solvent-free catalytic activity towards CO 2 fixation of mononuclear Co (iii) complexes installed on modified …
A set of mononuclear cobalt (III) octahedral complexes {[Co (LH)(acac)](Co-1H),[Co
(LBr)(acac)](Co-1Br), and [Co (LNO2)(acac)](Co-1NO2)} were synthesized using new …
(LBr)(acac)](Co-1Br), and [Co (LNO2)(acac)](Co-1NO2)} were synthesized using new …
Unravelling the Mechanism of CO2 Activation: Insights into Metal‐Metal Cooperativity and Spin‐Orbit Coupling with {3d–4f} Catalysts
Converting CO2 into useful chemicals using metal catalysts is a significant challenge in
chemistry. Among the various catalysts reported, transition metal lanthanide hybrid {3d‐4f} …
chemistry. Among the various catalysts reported, transition metal lanthanide hybrid {3d‐4f} …
[PDF][PDF] Elucidación del mecanismo de reacción de la reducción del dióxido de carbono con borohidruro de sodio
EE Abreu Martínez - 2023 - repositorio.cinvestav.mx
The new strategies for capturing atmospheric CO2 aim to use it as a carbon source, C1, in
synthesizing compounds with added value. In recent years, the hydroboration has become …
synthesizing compounds with added value. In recent years, the hydroboration has become …