A theoretical study of the activity in Rh-catalyzed
hydroformylation: the origin of the enhanced
activity of the π-acceptor phosphinine ligand

QR Code

A theoretical study of the activity in Rh-catalyzed hydroformylation: the origin of the enhanced activity of the π-acceptor phosphinine ligand

The factors governing the activity in Rh-catalyzed hydroformylation were investigated using a set of computational tools. We performed DFT calculations on the phosphinine- modified Rh catalyst [HRh(CO)3(PC5H2R3)] and compared it to the phosphane-modified HRh(CO)3(PR3) and HRh(CO)2(PR3)2 complexes. T...

Full description

Bibliographic Details
Main Authors:	Aguado-Ullate, Sonia, Baker, J.A., González-González, Vanessa, Müller, Christian, Hirst, J.D., Carbó, Jorge J.
Format:	Article
Published:	Royal Society of Chemistry 2014
Online Access:	https://eprints.nottingham.ac.uk/29468/

Similar Items

N-Heterocyclic carbenes as π*-acceptors in luminescent Re(I) triscarbonyl complexes
by: Casson, L., et al.
Published: (2011)

Ab initio energy calculations and macroscopic rate modeling of hydroformylation of higher alkenes by Rh-based catalyst
by: M.S., Shaharun, et al.
Published: (2009)

Ab Initio Energy Calculations and Macroscopic Rate Modeling of Hydroformylation of Higher Alkenes by Rh-Based Catalyst
by: Shaharun, Maizatul Shima, et al.
Published: (2009)

Possible origin of electronic effects in Rh(I)-catalyzed enantioselective hydrogenation
by: Wu, Hai-Chen, et al.
Published: (2009)

Synthesis, Characterization And Theoretical Studies On A New Donor-pi-acceptor (D-π-a) Bridge System Of Ferrocenyl Chalcones For Potential Solar Cell Applications
by: Anizaim, Ainizatul Husna
Published: (2021)

Au-catalyzed biaryl coupling to generate 5- to 9-membered rings: turnover-limiting reductive elimination versus π-complexation
by: Corrie, Tom J.A., et al.
Published: (2016)

Rhodium-catalyzed oxidative C–H allylation of benzamides with 1,3-dienes by allyl-to-allyl 1,4-Rh(III) migration
by: Korkis, Stamatis E., et al.
Published: (2016)

Equal proportion of donor/acceptor active layer for reduced dark current in visible organic photodiode
by: Roslan, Suraya Annissa, et al.
Published: (2024)

Unveiling the active sites of graphene-catalyzed peroxymonosulfate activation
by: Duan, X., et al.
Published: (2016)

Binuclear phosphanegold(I) thiocarbamates: The importance of Au···π(aryl) interactions and their antimicrobial activity
by: Yeo, Chien Ing *
Published: (2016)

Anion-π Interactions of Hexaaryl[3]radialenes
by: Evans, J., et al.
Published: (2012)

Solubility of carbon monoxide and hydrogen in propylene carbonate and thermomorphic multicomponent hydroformylation solvent
by: Shaharun , M.S., et al.
Published: (2008)

Solubility of carbon monoxide and hydrogen in propylene carbonate and thermomorphic multicomponent hydroformylation solvent
by: Shaharun, Maizatul Shima, et al.
Published: (2008)

Solubility of carbon monoxide and hydrogen in propylene carbonate and thermomorphic multicomponent hydroformylation solvent
by: Shaharun, Maizatul Shima, et al.
Published: (2008)

Stereoselective Rh- and Cu-catalysed additions to imines and aldehydes
by: Smith, Joshua J.
Published: (2017)

Hydroformylation of 1-octene using rhodium-phosphite catalyst in a thermomorphic solvent system
by: M.S., Shaharun, et al.
Published: (2010)

Hydroformylation of 1-octene using rhodium-phosphite catalyst in a thermomorphic solvent system
by: Shaharun , M.S., et al.
Published: (2010)

Hydroformylation of 1-octene using rhodium–phosphite catalyst in a thermomorphic solvent system
by: Shaharun, Maizatul Shima, et al.
Published: (2009)

Progress in non-fullerene acceptor based organic solar cells
by: Duan, L., et al.
Published: (2019)

Novel cationic radical acceptors for visible light-mediated reactions
by: Filippini, Dario
Published: (2023)

Suppressing migration of oxygen vacancies in acceptor-doped barium titanate
by: Xu, Zhanpeng
Published: (2025)

Design of a low cost coin acceptor for vending machine
by: Ho Chee Leong, Richmond Chris, et al.
Published: (2021)

An analysis of chloride…π(chelate ring) interactions
by: Tiekink, Edward R. T. *
Published: (2019)

Π -Normality In Topological Spaces And Its Generalization
by: Thabit, Sadeq Ali Saad
Published: (2013)

Dissociation of charge-transfer states at donor–acceptor interfaces of organic heterojunctions
by: Inche Ibrahim, Mohd Lukman
Published: (2017)

The use of pattern in CORBA middleware : XML-Acceptor pattern / Norliana Muhammad
by: Muhammad, Norliana
Published: (2005)

PTB7-based organic photodiodes: compatibility of OXCBA as an electron acceptor
by: Mohd Kamal, Muhammad Alif Ikmal, et al.
Published: (2023)

Sulphur(lone pair)…π interactions with FAD in flavoenzymes
by: Silva, Rui F. N., et al.
Published: (2018)

The new material battery based on Mg/C-π
by: Siburian, Rikson, et al.
Published: (2021)

Impact of donor-acceptor morphology on the charge carrier generation in organic photovoltaic devices
by: Inche Ibrahim, Mohd Lukman
Published: (2018)

Electrophiles and Michael acceptors as Nrf2 modulators in a Caenorhabditis elegans model.
by: Lee , Chong Yew

Interaction of the NO 3pπ (C 2Π) Rydberg state with RG (RG = Ne, Kr, and Xe): potential energy surfaces and spectroscopy
by: Ershova, Olga V., et al.
Published: (2015)

Experimental and computational evidence for stabilising parallel, offset π[C(=O)N(H)N=C]⋯π(phenyl) interactions in acetohydrazide derivatives
by: Tan, Sang Loon *, et al.
Published: (2022)

Insights into perovskite-catalyzed peroxymonosulfate activation: Maneuverable cobalt sites for promoted evolution of sulfate radicals
by: Duan, Xiaoguang, et al.
Published: (2018)

The impact of maturation on concentrations of key odour active compounds which determine the aroma of tequila
by: González-Robles, Ivonne Wendolyne, et al.
Published: (2016)

Co-localised Raman and force spectroscopy reveal the roles of hydrogen bonds and π-π interactions in defining the mechanical properties of diphenylalanine nano- and micro-tubes
by: Sinjab, Faris, et al.
Published: (2014)

Microelectrode arrays with active-area geometries defined by spatial light modulation
by: Vogel, Yan, et al.
Published: (2020)

Probing polyoxometalate-protein interactions using molecular dynamics simulations
by: Solé-Daura, Albert, et al.
Published: (2016)

High-efficiency semitransparent organic solar cells with non-fullerene acceptor for window application
by: Upama, M., et al.
Published: (2017)

In situ capture of active species and oxidation mechanism of RhB and MB dyes over sunlight-driven Ag/Ag 3PO 4 plasmonic nanocatalyst
by: Teng, W., et al.
Published: (2012)