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

Farhan Ahmad Pasha; Anissa Bendjeriou-Sedjerari; Kuo-Wei Huang; Jean-Marie Basset

doi:10.1021/om5000858

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

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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

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A theoretical DFT study of the mechanism of CC bond hydrogenolysis in alkanes on silica-supported zirconium hydrides

Mendeleev Communications ◽

10.1070/mc2002v012n05abeh001645 ◽

2002 ◽

Vol 12 (5) ◽

pp. 173-175 ◽

Cited By ~ 13

Author(s):

Dmitri V. Besedin ◽

Leila Yu. Ustynyuk ◽

Yuri A. Ustynyuk ◽

Valery V. Lunin

Keyword(s):

Dft Study ◽

Zirconium Hydrides

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Hydrogenolysis of alkanes and olefin polymerization on the silica-supported zirconium hydrides: A comparative DFT study

Topics in Catalysis ◽

10.1007/s11244-005-9259-y ◽

2005 ◽

Vol 32 (1-2) ◽

pp. 47-60 ◽

Cited By ~ 19

Author(s):

Dmitri V. Besedin ◽

Leila Yu. Ustynyuk ◽

Yuri A. Ustynyuk ◽

Valerij V. Lunin

Keyword(s):

Olefin Polymerization ◽

Dft Study ◽

Zirconium Hydrides ◽

Hydrogenolysis Of Alkanes

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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

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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

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Control of nuclearity in heterometallic CuII–MnIIcomplexes derived from asymmetric Schiff bases: structures and magnetic properties

Dalton Transactions ◽

10.1039/c7dt04766e ◽

2018 ◽

Vol 47 (10) ◽

pp. 3568-3579 ◽

Cited By ~ 19

Author(s):

Prithwish Mahapatra ◽

Sanjib Giri ◽

Michael G. B. Drew ◽

Ashutosh Ghosh

Keyword(s):

Magnetic Properties ◽

Schiff Bases ◽

Magnetic Measurements ◽

Dft Study ◽

Trinuclear Complex ◽

Donor Ligands ◽

Dinuclear Complexes ◽

The One

Among three asymmetric Schiff bases used for the synthesis of heterometallic CuII–MnIIcomplexes, the one with N2O2donor atoms yielded a tetranuclear and a trinuclear complex whereas two N2O3donor ligands produced solely dinuclear complexes. The results of magnetic measurements have been justified by DFT study.

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A DFT study of the interaction between [Cd(H2O)3]2+ and monodentate O-, N-, and S-donor ligands: bond interaction analysis

Journal of Molecular Modeling ◽

10.1007/s00894-017-3571-x ◽

2018 ◽

Vol 24 (1) ◽

Cited By ~ 2

Author(s):

Victor Hugo Malamace da Silva ◽

Daniel Garcez S. Quattrociocchi ◽

Stanislav R. Stoyanov ◽

José Walkimar de Mesquita Carneiro ◽

Leonardo Moreira da Costa ◽

...

Keyword(s):

Interaction Analysis ◽

Dft Study ◽

Donor Ligands ◽

Bond Interaction

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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.

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