Mechanistic study of ethylene tri- and tetramerisation with Cr/PNP catalysts: effects of additional donors

George J. P. Britovsek; David S. McGuinness; Atanas K. Tomov

doi:10.1039/c6cy02112c

Mechanistic study of ethylene tri- and tetramerisation with Cr/PNP catalysts: effects of additional donors

Catalysis Science & Technology ◽

10.1039/c6cy02112c ◽

2016 ◽

Vol 6 (23) ◽

pp. 8234-8241 ◽

Cited By ~ 19

Author(s):

George J. P. Britovsek ◽

David S. McGuinness ◽

Atanas K. Tomov

Keyword(s):

Dft Study ◽

Donor Ligands ◽

Mechanistic Study

The mechanism of ethylene trimerisation and tetramerisation with Cr–diphosphinoamine complexes, specifically the influence of additional donor ligands and anions, is investigated through an experimental and DFT study.

Download Full-text

Mechanistic Study of Selective Catalytic Reduction of NOx with NH3 over Mn-TiO2: A Combination of Experimental and DFT Study

The Journal of Physical Chemistry C ◽

10.1021/acs.jpcc.7b06715 ◽

2017 ◽

Vol 121 (36) ◽

pp. 19859-19871 ◽

Cited By ~ 18

Author(s):

Huiling Zheng ◽

Weiyu Song ◽

Yan Zhou ◽

Sicong Ma ◽

Jianlin Deng ◽

...

Keyword(s):

Selective Catalytic Reduction ◽

Catalytic Reduction ◽

Dft Study ◽

Mechanistic Study ◽

Reduction Of Nox

Download Full-text

C–H and C–C Activation of n-Butane with Zirconium Hydrides Supported on SBA15 Containing N-Donor Ligands: [(≡SiNH−)(≡SiX−)ZrH2], [(≡SiNH−)(≡SiX−)2ZrH], and[(≡SiN═)(≡SiX−)ZrH] (X = −NH–, −O−). A DFT Study

Organometallics ◽

10.1021/om5000858 ◽

2014 ◽

Vol 33 (13) ◽

pp. 3320-3327 ◽

Cited By ~ 14

Author(s):

Farhan Ahmad Pasha ◽

Anissa Bendjeriou-Sedjerari ◽

Kuo-Wei Huang ◽

Jean-Marie Basset

Keyword(s):

Dft Study ◽

Donor Ligands ◽

Zirconium Hydrides

Download Full-text

Equilibria and kinetics for pH-dependent axial ligation of ethylester and methylester(aquo)cobaloximes with aromatic and aliphatic N-donor ligands and a molecular mechanistic study of the Co-C bond

Journal of Chemical Sciences ◽

10.1007/bf02708217 ◽

2004 ◽

Vol 116 (3) ◽

pp. 143-150 ◽

Cited By ~ 4

Author(s):

J. V. Madhuri ◽

V. Malathi ◽

S. Satyanarayana

Keyword(s):

Donor Ligands ◽

Mechanistic Study ◽

Axial Ligation ◽

Ph Dependent

Download Full-text

A DFT study of the affinity of lanthanide and actinide ions for sulfur-donor and nitrogen-donor ligands in aqueous solution

Inorganica Chimica Acta ◽

10.1016/j.ica.2012.10.010 ◽

2013 ◽

Vol 396 ◽

pp. 101-107 ◽

Cited By ~ 11

Author(s):

Robert D. Hancock ◽

Libero J. Bartolotti

Keyword(s):

Aqueous Solution ◽

Dft Study ◽

Donor Ligands ◽

Nitrogen Donor Ligands ◽

Nitrogen Donor ◽

Actinide Ions ◽

Sulfur Donor

Download Full-text

Relative reactivity of N,N-donor ligands in substitution reactions of cis-diaqua(2-aminomethylpiperidine)platinum(II): a detailed kinetic and mechanistic study

Journal of Chemical Sciences ◽

10.1007/s12039-018-1525-1 ◽

2018 ◽

Vol 130 (9) ◽

Cited By ~ 1

Author(s):

Debabrata Nandi ◽

Sumon Ray ◽

Parnajyoti Karmakar ◽

Animesh Chattopadhyay ◽

Anwesha Dey ◽

...

Keyword(s):

Relative Reactivity ◽

Donor Ligands ◽

Mechanistic Study ◽

Substitution Reactions

Download Full-text

A mechanistic study on Cu(i) catalyzed carboxylation of the C–F bond with CO2: a DFT study

Organic & Biomolecular Chemistry ◽

10.1039/d0ob01414a ◽

2020 ◽

Vol 18 (44) ◽

pp. 9065-9071

Author(s):

Jiao Liu ◽

Wan Nie ◽

Haizhu Yu ◽

Jing Shi

Keyword(s):

Theoretical Calculations ◽

Dft Study ◽

Mechanistic Study ◽

Detailed Mechanism ◽

Excellent Method

Cu(i) catalyzed carboxylation of the C–F bond is an excellent method for construction of complex fluoroacrylate compounds with high regioselectivity. Here, theoretical calculations were carried out to investigate the detailed mechanism and origin of regioselectivity.

Download Full-text

Computational mechanistic study of Ru-catalyzed CO2 reduction by pinacolborane revealing the σ–π coupling mechanism for CO2 decarbonylation

Dalton Transactions ◽

10.1039/c8dt00081f ◽

2018 ◽

Vol 47 (14) ◽

pp. 4804-4819 ◽

Cited By ~ 1

Author(s):

Fang Huang ◽

Qiong Wang ◽

Jiandong Guo ◽

Mingwei Wen ◽

Zhi-Xiang Wang

Keyword(s):

Co2 Reduction ◽

Dft Study ◽

Mechanistic Study ◽

Coupling Mechanism

A σ–π coupling mechanism for CO2 decarbonylation has been revealed in a Ru-catalyzed system by DFT study.

Download Full-text

Mechanistic study on gold(I)-catalyzed crosscoupling of diazo compounds: A DFT study

International Journal of Quantum Chemistry ◽

10.1002/qua.25581 ◽

2017 ◽

Vol 118 (14) ◽

pp. e25581

Author(s):

Yan Li ◽

Ruixue Tian ◽

Changhai Liang

Keyword(s):

Dft Study ◽

Diazo Compounds ◽

Mechanistic Study

Download Full-text

Synthesis, X-ray structure, spectroscopic electrochemistry, anti-nociceptive activity and DFT study of cis-[Ru(EPh3)(L)Cl2] complexes (E = P, As and Sb) (L = thioether-azoimine tridentate SNN donor ligands)

Polyhedron ◽

10.1016/j.poly.2021.115195 ◽

2021 ◽

pp. 115195

Author(s):

Mousa Al-Noaimi ◽

Esam Qnais ◽

Firas F. Awwadi ◽

Manal I. Alwahsh

Keyword(s):

Dft Study ◽

Donor Ligands ◽

X Ray

Download Full-text

Impact of Coordination Modes of N‐Donor Ligands on Am(III)/Eu(III) Separation in Nuclear Waste Water Treatment – A DFT Study

ChemistrySelect ◽

10.1002/slct.202102543 ◽

2021 ◽

Vol 6 (43) ◽

pp. 11876-11886

Author(s):

Cheriyan Ebenezer ◽

Rajadurai Vijay Solomon

Keyword(s):

Waste Water ◽

Water Treatment ◽

Nuclear Waste ◽

Waste Water Treatment ◽

Dft Study ◽

Donor Ligands ◽

Coordination Modes

Download Full-text