Density Functional Theory Study of Oxygen-Atom Insertion into Metal–Methyl Bonds of Iron(II), Ruthenium(II), and Osmium(II) Complexes: Study of Metal-Mediated C–O Bond Formation

Daniel B. Pardue; Jiajun Mei; Thomas R. Cundari; T. Brent Gunnoe

doi:10.1021/ic402759w

Density Functional Theory Study of Oxygen-Atom Insertion into Metal–Methyl Bonds of Iron(II), Ruthenium(II), and Osmium(II) Complexes: Study of Metal-Mediated C–O Bond Formation

Inorganic Chemistry ◽

10.1021/ic402759w ◽

2014 ◽

Vol 53 (6) ◽

pp. 2968-2975 ◽

Cited By ~ 10

Author(s):

Daniel B. Pardue ◽

Jiajun Mei ◽

Thomas R. Cundari ◽

T. Brent Gunnoe

Keyword(s):

Density Functional Theory ◽

Oxygen Atom ◽

Density Functional ◽

Bond Formation ◽

Density Functional Theory Study ◽

Functional Theory ◽

Oxygen Atom Insertion

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Density functional theory study of palladium-catalyzed aryl-nitrogen and aryl-oxygen bond formation

Journal of Physical Organic Chemistry ◽

10.1002/poc.889 ◽

2005 ◽

Vol 18 (5) ◽

pp. 417-425 ◽

Cited By ~ 20

Author(s):

Thomas R. Cundari ◽

Jun Deng

Keyword(s):

Density Functional Theory ◽

Density Functional ◽

Bond Formation ◽

Density Functional Theory Study ◽

Functional Theory ◽

Palladium Catalyzed ◽

Oxygen Bond

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Adsorption and diffusion of oxygen atom on UN2(100) surface and subsurface: a density functional theory study (DFT and DFT + U)

Journal of Nanostructure in Chemistry ◽

10.1007/s40097-014-0130-1 ◽

2014 ◽

Vol 4 (4) ◽

pp. 143-151 ◽

Cited By ~ 4

Author(s):

T. Zergoug ◽

S. E. H. Abaidia ◽

A. Nedjar ◽

M. Y. Mokeddem

Keyword(s):

Density Functional Theory ◽

Oxygen Atom ◽

Density Functional ◽

Density Functional Theory Study ◽

Functional Theory ◽

And Diffusion

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The Interaction Between an Oxygen Atom and C70(D5h): A Density Functional Theory Study

Journal of Computational and Theoretical Nanoscience ◽

10.1166/jctn.2011.1974 ◽

2011 ◽

Vol 8 (12) ◽

pp. 2429-2433 ◽

Cited By ~ 2

Author(s):

Ce Hao ◽

Lijuan Guo ◽

Peng Jin ◽

Shenmin Li ◽

Weihong Mi ◽

...

Keyword(s):

Density Functional Theory ◽

Oxygen Atom ◽

Density Functional ◽

Density Functional Theory Study ◽

Functional Theory

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Un-catalyzed peptide bond formation between two monomers of glycine, alanine, serine, threonine, and aspartic acid in gas phase: a density functional theory study

The European Physical Journal D ◽

10.1140/epjd/e2016-60609-8 ◽

2016 ◽

Vol 70 (5) ◽

Cited By ~ 3

Author(s):

Snehasis Bhunia ◽

Ajeet Singh ◽

Animesh K. Ojha

Keyword(s):

Density Functional Theory ◽

Gas Phase ◽

Aspartic Acid ◽

Density Functional ◽

Bond Formation ◽

Peptide Bond ◽

Density Functional Theory Study ◽

Peptide Bond Formation ◽

Functional Theory

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Mechanism for OO bond formation in a biomimetic tetranuclear manganese cluster – A density functional theory study

Journal of Photochemistry and Photobiology B Biology ◽

10.1016/j.jphotobiol.2014.12.005 ◽

2015 ◽

Vol 152 ◽

pp. 162-172 ◽

Cited By ~ 13

Author(s):

Rong-Zhen Liao ◽

Per E.M. Siegbahn

Keyword(s):

Density Functional Theory ◽

Density Functional ◽

Bond Formation ◽

Density Functional Theory Study ◽

Manganese Cluster ◽

Functional Theory ◽

Cluster A

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The Role of Asynchronous Bond Formation in the Diastereoselective Epoxidation of Cyclic Enol Ethers: A Density Functional Theory Study

The Journal of Organic Chemistry ◽

10.1021/jo060502g ◽

2006 ◽

Vol 71 (15) ◽

pp. 5565-5573 ◽

Cited By ~ 8

Author(s):

Anita M. Orendt ◽

Scott W. Roberts ◽

Jon D. Rainier

Keyword(s):

Density Functional Theory ◽

Density Functional ◽

Bond Formation ◽

Density Functional Theory Study ◽

Functional Theory ◽

Enol Ethers

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Density functional theory study of oxygen atom adsorption on different surfaces of pyrite

Journal of Wuhan University of Technology-Mater Sci Ed ◽

10.1007/s11595-017-1769-5 ◽

2017 ◽

Vol 32 (6) ◽

pp. 1464-1469 ◽

Cited By ~ 1

Author(s):

Teng Huang ◽

Shaomin Lei ◽

Mengjiao Ji ◽

Yuanyuan Liu ◽

Yanming Fan

Keyword(s):

Density Functional Theory ◽

Oxygen Atom ◽

Density Functional ◽

Density Functional Theory Study ◽

Functional Theory

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Competition of C‐C bond formation and C‐H bond formation For acetylene hydrogenation on transition metals: A density functional theory study

AIChE Journal ◽

10.1002/aic.16492 ◽

2018 ◽

Vol 65 (3) ◽

pp. 1059-1066 ◽

Cited By ~ 6

Author(s):

Zhi‐Jian Zhao ◽

Jiubing Zhao ◽

Xin Chang ◽

Shenjun Zha ◽

Liang Zeng ◽

...

Keyword(s):

Density Functional Theory ◽

Transition Metals ◽

Density Functional ◽

Bond Formation ◽

Density Functional Theory Study ◽

Functional Theory ◽

Acetylene Hydrogenation

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Density functional theory study on the mechanism of CO sensing on Cu2O (111) surface: Influence of the pre-adsorbed oxygen atom

Applied Surface Science ◽

10.1016/j.apsusc.2013.10.054 ◽

2014 ◽

Vol 288 ◽

pp. 452-457 ◽

Cited By ~ 15

Author(s):

Yaoyao Shen ◽

Feng Hui Tian ◽

Shougang Chen ◽

Zhenqing Ma ◽

Linghuan Zhao ◽

...

Keyword(s):

Density Functional Theory ◽

Oxygen Atom ◽

Density Functional ◽

Adsorbed Oxygen ◽

Density Functional Theory Study ◽

Functional Theory ◽

Adsorbed Oxygen Atom

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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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