Density Functional Theory Study on the Oxidative Addition of Chloroarenes to POP Rhodium Complexes

Yongseong Kim; Su‐Chak Ryu; Sungu Hwang

doi:10.1002/bkcs.11648

Density Functional Theory Study on the Oxidative Addition of Chloroarenes to POP Rhodium Complexes

Bulletin of the Korean Chemical Society ◽

10.1002/bkcs.11648 ◽

2018 ◽

Vol 40 (2) ◽

pp. 189-191

Author(s):

Yongseong Kim ◽

Su‐Chak Ryu ◽

Sungu Hwang

Keyword(s):

Density Functional Theory ◽

Density Functional ◽

Oxidative Addition ◽

Rhodium Complexes ◽

Density Functional Theory Study ◽

Functional Theory

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Effect of Ancillary Ligands on Oxidative Addition of CH4to Ta(III) Complexes Ta(OC2H4)3A (A = B, Al, CH, SiH, N, P): A Density Functional Theory Study

Organometallics ◽

10.1021/acs.organomet.6b00690 ◽

2016 ◽

Vol 36 (1) ◽

pp. 64-73 ◽

Cited By ~ 4

Author(s):

Riffat Parveen ◽

Thomas R. Cundari

Keyword(s):

Density Functional Theory ◽

Density Functional ◽

Oxidative Addition ◽

Density Functional Theory Study ◽

Functional Theory ◽

Ancillary Ligands

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Kinetic C−H Oxidative Addition vs Thermodynamic C−X Oxidative Addition of Chlorobenzene by a Neutral Rh(I) System. A Density Functional Theory Study†

The Journal of Physical Chemistry A ◽

10.1021/jp902826w ◽

2009 ◽

Vol 113 (43) ◽

pp. 11706-11712 ◽

Cited By ~ 8

Author(s):

Hong Wu ◽

Michael B. Hall

Keyword(s):

Density Functional Theory ◽

Density Functional ◽

Oxidative Addition ◽

Density Functional Theory Study ◽

Functional Theory ◽

System A

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Comparison between Oxidative Addition and σ-Bond Metathesis as Possible Mechanisms for the Catalytica Methane Activation Process by Platinum(II) Complexes: A Density Functional Theory Study

Organometallics ◽

10.1021/om0007264 ◽

2001 ◽

Vol 20 (6) ◽

pp. 1183-1189 ◽

Cited By ~ 42

Author(s):

Thomas M. Gilbert ◽

Iordan Hristov ◽

Tom Ziegler

Keyword(s):

Density Functional Theory ◽

Density Functional ◽

Oxidative Addition ◽

Methane Activation ◽

Activation Process ◽

Density Functional Theory Study ◽

Functional Theory

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Density functional theory calculated data of the iodomethane oxidative addition to oligothiophene-containing rhodium complexes – Importance of dispersion correction

Data in Brief ◽

10.1016/j.dib.2021.106929 ◽

2021 ◽

Vol 35 ◽

pp. 106929

Author(s):

Nandisiwe Ghandi Sibongile Mateyise ◽

Jeanet Conradie ◽

Marrigje M. Conradie

Keyword(s):

Density Functional Theory ◽

Density Functional ◽

Oxidative Addition ◽

Calculated Data ◽

Rhodium Complexes ◽

Dispersion Correction ◽

Functional Theory

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A density functional theory study of the oxidative addition of methyl iodide to square planar [Rh(acac)(P(OPh)3)2] complex and simplified model systems

Journal of Organometallic Chemistry ◽

10.1016/j.jorganchem.2010.05.021 ◽

2010 ◽

Vol 695 (18) ◽

pp. 2126-2133 ◽

Cited By ~ 23

Author(s):

Marrigje M. Conradie ◽

Jeanet Conradie

Keyword(s):

Density Functional Theory ◽

Methyl Iodide ◽

Density Functional ◽

Oxidative Addition ◽

Model Systems ◽

Simplified Model ◽

Density Functional Theory Study ◽

Functional Theory ◽

Square Planar

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Methylene imino radical H2CN : matrix isolation ESR and density functional theory study

Molecular Physics ◽

10.1080/002689799165107 ◽

1999 ◽

Vol 96 (6) ◽

pp. 993-1000 ◽

Cited By ~ 2

Author(s):

PAUL H. KASAI

Keyword(s):

Density Functional Theory ◽

Density Functional ◽

Matrix Isolation ◽

Density Functional Theory Study ◽

Functional Theory

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A Density Functional Theory Study of 2-Chlorothiophene Adsorption on Rh(111) Surface

CHINESE JOURNAL OF CATALYSIS (CHINESE VERSION) ◽

10.3724/sp.j.1088.2010.90513 ◽

2010 ◽

Vol 31 (1) ◽

pp. 49-55

Author(s):

Zhanhong CHEN ◽

Kaining DING ◽

Xianglan XU ◽

Junqian LI

Keyword(s):

Density Functional Theory ◽

Density Functional ◽

Density Functional Theory Study ◽

Functional Theory

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Density Functional Theory Study on the Relationship between Polymerization Activity and Substituent Electronic Effect of Polyolefin Catalysts

CHINESE JOURNAL OF CATALYSIS (CHINESE VERSION) ◽

10.3724/sp.j.1088.2010.00126 ◽

2010 ◽

Vol 31 (9) ◽

pp. 1127-1131

Author(s):

Huayi LI ◽

Liaoyun ZHANG ◽

Youliang HU

Keyword(s):

Density Functional Theory ◽

Density Functional ◽

Electronic Effect ◽

Density Functional Theory Study ◽

Functional Theory ◽

The Relationship

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Density Functional Theory Study of the Gas Phase and Surface Reaction Kinetics for the MOVPE Growth of GaAs1–yBiy

The Journal of Physical Chemistry A ◽

10.1021/acs.jpca.9b10399 ◽

2020 ◽

Vol 124 (9) ◽

pp. 1682-1697

Author(s):

Ryan C. Lucas ◽

Dane Morgan ◽

Thomas F. Kuech

Keyword(s):

Density Functional Theory ◽

Reaction Kinetics ◽

Gas Phase ◽

Density Functional ◽

Surface Reaction ◽

Density Functional Theory Study ◽

Functional Theory ◽

Movpe Growth ◽

Surface Reaction Kinetics

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Structural Stability of Ruthenium Nanoparticles: A Density Functional Theory Study

The Journal of Physical Chemistry C ◽

10.1021/acs.jpcc.7b08672 ◽

2017 ◽

Vol 121 (49) ◽

pp. 27445-27452 ◽

Cited By ~ 21

Author(s):

Yusuke Nanba ◽

Takayoshi Ishimoto ◽

Michihisa Koyama

Keyword(s):

Density Functional Theory ◽

Structural Stability ◽

Density Functional ◽

Density Functional Theory Study ◽

Ruthenium Nanoparticles ◽

Functional Theory

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