A unified survey of Si–H and H–H bond activation catalysed by electron-deficient boranes
M Oestreich, J Hermeke, J Mohr - Chemical Society Reviews, 2015 - pubs.rsc.org
The bond activation chemistry of B (C6F5) 3 and related electron-deficient boranes is
currently experiencing a renaissance due to the fascinating development of frustrated Lewis …
currently experiencing a renaissance due to the fascinating development of frustrated Lewis …
Frustrated Lewis pairs: bonding, reactivity, and applications
The outstanding capability of Frustrated Lewis Pair (FLP) catalysts to activate small
molecules has gained significant attention in recent times. Reactivity of FLP is further …
molecules has gained significant attention in recent times. Reactivity of FLP is further …
Reactivity models of hydrogen activation by frustrated Lewis pairs: synergistic electron transfers or polarization by electric field?
Two alternative qualitative reactivity models have recently been proposed to interpret the
facile heterolytic cleavage of H2 by frustrated Lewis pairs (FLPs). Both models assume that …
facile heterolytic cleavage of H2 by frustrated Lewis pairs (FLPs). Both models assume that …
Design of Lewis Pair-Functionalized Metal Organic Frameworks for CO2 Hydrogenation
J Ye, JK Johnson - ACS Catalysis, 2015 - ACS Publications
Efficient catalytic reduction of CO2 is critical for the large-scale utilization of this greenhouse
gas. We have used density functional electronic structure methods to design a catalyst for …
gas. We have used density functional electronic structure methods to design a catalyst for …
Energy decomposition scheme based on the generalized Kohn–Sham scheme
In this paper, a new energy decomposition analysis scheme based on the generalized Kohn–
Sham (GKS) and the localized molecular orbital energy decomposition analysis (LMO-EDA) …
Sham (GKS) and the localized molecular orbital energy decomposition analysis (LMO-EDA) …
Outer sphere hydrogenation catalysis
O Eisenstein, RH Crabtree - New Journal of Chemistry, 2013 - pubs.rsc.org
In the title catalysts, the substrate, typically a ketone, imine or N-heterocycle, remains in the
outer sphere (OS). The catalyst transfers hydride and a proton to the unbound substrate …
outer sphere (OS). The catalyst transfers hydride and a proton to the unbound substrate …
Experimental and computational aspects of molecular frustrated Lewis pairs for CO 2 hydrogenation: en route for heterogeneous systems?
RK Riddhi, F Penas-Hidalgo, H Chen… - Chemical Society …, 2024 - pubs.rsc.org
Catalysis plays a crucial role in advancing sustainability. The unique reactivity of frustrated
Lewis pairs (FLPs) is driving an ever-growing interest in the transition metal-free …
Lewis pairs (FLPs) is driving an ever-growing interest in the transition metal-free …
Screening Lewis Pair Moieties for Catalytic Hydrogenation of CO2 in Functionalized UiO-66
J Ye, JK Johnson - ACS Catalysis, 2015 - ACS Publications
The capture and reuse of CO2 as a liquid fuel could reduce the overall anthropogenic
carbon footprint but requires a catalytic pathway for CO2 hydrogenation under mild …
carbon footprint but requires a catalytic pathway for CO2 hydrogenation under mild …
Silylium ion/phosphane Lewis pairs
M Reißmann, A Schäfer, S Jung, T Müller - Organometallics, 2013 - ACS Publications
The reactivity of a series of silylium ion/phosphane Lewis pairs was studied. Triarylsilylium
borates 4 [B (C6F5) 4] form frustrated Lewis pairs (FLPs) of moderate stability with sterically …
borates 4 [B (C6F5) 4] form frustrated Lewis pairs (FLPs) of moderate stability with sterically …
General H2 Activation Modes for Lewis Acid–Transition Metal Bifunctional Catalysts
A general mechanism for H2 activation by Lewis acid–transition metal (LA-TM) bifunctional
catalysts has been presented via density functional theory (DFT) studies on a representative …
catalysts has been presented via density functional theory (DFT) studies on a representative …