Calculations on the Kinetics, Thermodynamics, and Selectivity of Methyl Radical Addition to Olefins Coordinated to d8and d0Transition-Metal Fragments: Two Distinct and Opposite anti-Evans−Polanyi Effects with Potential Practical Implications

Faraj Hasanayn; Samer Gozem

doi:10.1021/om8007212

Calculations on the Kinetics, Thermodynamics, and Selectivity of Methyl Radical Addition to Olefins Coordinated to d8and d0Transition-Metal Fragments: Two Distinct and Opposite anti-Evans−Polanyi Effects with Potential Practical Implications

Organometallics ◽

10.1021/om8007212 ◽

2008 ◽

Vol 27 (21) ◽

pp. 5426-5429 ◽

Cited By ~ 8

Author(s):

Faraj Hasanayn ◽

Samer Gozem

Keyword(s):

Radical Addition ◽

Methyl Radical ◽

Practical Implications

Download Full-text

A Theoretical Study of Chlorine Atom and Methyl Radical Addition to Nitrogen Bases: Why Do Cl Atoms Form Two-Center−Three-Electron Bonds Whereas CH3Radicals Form Two-Center−Two-Electron Bonds?

Journal of the American Chemical Society ◽

10.1021/ja9613973 ◽

1996 ◽

Vol 118 (43) ◽

pp. 10571-10576 ◽

Cited By ~ 29

Author(s):

Michael L. McKee ◽

Athanassios Nicolaides ◽

Leo Radom

Keyword(s):

Chlorine Atom ◽

Theoretical Study ◽

Radical Addition ◽

Methyl Radical ◽

Nitrogen Bases ◽

Cl Atoms

Download Full-text

Comparison of the Kinetics and Thermodynamics for Methyl Radical Addition to CC, CO, and CS Double Bonds

Journal of the American Chemical Society ◽

10.1021/ja039139a ◽

2004 ◽

Vol 126 (6) ◽

pp. 1732-1740 ◽

Cited By ~ 39

Author(s):

David J. Henry ◽

Michelle L. Coote ◽

Rodolfo Gómez-Balderas ◽

Leo Radom

Keyword(s):

Radical Addition ◽

Double Bonds ◽

Methyl Radical ◽

Kinetics And Thermodynamics

Download Full-text

Synthesis of β,β-Dichloro-α,β-unsaturated Ketones by Trichloro-methyl Radical Addition/Elimination of Enol Silyl Ethers

Chinese Journal of Organic Chemistry ◽

10.6023/cjoc201911023 ◽

2020 ◽

Vol 40 (6) ◽

pp. 1625

Author(s):

Haochen Ge ◽

Keying Du ◽

Weijian Sheng

Keyword(s):

Radical Addition ◽

Methyl Radical ◽

Silyl Ethers ◽

Unsaturated Ketones ◽

Enol Silyl Ethers

Download Full-text

Methyl radical addition to nitroalkane aci-anions in aqueous solution: rate constants and optical absorption spectra

Journal of the Chemical Society Perkin Transactions 2 ◽

10.1039/p29820001143 ◽

1982 ◽

pp. 1143 ◽

Cited By ~ 6

Author(s):

Dieter Veltwisch ◽

Klaus-Dieter Asmus

Keyword(s):

Aqueous Solution ◽

Optical Absorption ◽

Absorption Spectra ◽

Rate Constants ◽

Radical Addition ◽

Solution Rate ◽

Optical Absorption Spectra ◽

Methyl Radical

Download Full-text

ChemInform Abstract: Prediction of Methyl Radical Addition Rate Constants from Molecular Structure.

ChemInform ◽

10.1002/chin.199931283 ◽

2010 ◽

Vol 30 (31) ◽

pp. no-no

Author(s):

Gregory A. Bakken ◽

Peter C. Jurs

Keyword(s):

Molecular Structure ◽

Rate Constants ◽

Radical Addition ◽

Methyl Radical ◽

Addition Rate ◽

Addition Rate Constants

Download Full-text

Regioselectivity of methyl radical addition to fluoroethenes: a quantum mechanical study

Chemical Physics Letters ◽

10.1016/s0009-2614(98)00797-0 ◽

1998 ◽

Vol 293 (3-4) ◽

pp. 295-301 ◽

Cited By ~ 7

Author(s):

Roger Arnaud ◽

Valentina Vetere ◽

Vincenzo Barone

Keyword(s):

Radical Addition ◽

Quantum Mechanical ◽

Methyl Radical ◽

Mechanical Study ◽

Quantum Mechanical Study

Download Full-text

The orientation of methyl radical addition to fluoroethylenes

Journal of the Chemical Society D Chemical Communications ◽

10.1039/c29710001046 ◽

1971 ◽

pp. 1046 ◽

Cited By ~ 5

Author(s):

J. M. Tedder ◽

J. C. Walton ◽

K. D. R. Winton

Keyword(s):

Radical Addition ◽

Methyl Radical

Download Full-text

Methyl radical addition to methyl ethyl ketone

Reaction Kinetics and Catalysis Letters ◽

10.1007/bf02074146 ◽

1981 ◽

Vol 15 (4) ◽

pp. 431-435 ◽

Cited By ~ 6

Author(s):

H. Knoll

Keyword(s):

Methyl Ethyl Ketone ◽

Radical Addition ◽

Methyl Ethyl ◽

Methyl Radical

Download Full-text

What Is the Origin of the Contrathermodynamic Behavior in Methyl Radical Addition to Alkynes versus Alkenes?

The Journal of Physical Chemistry A ◽

10.1021/jp035042z ◽

2003 ◽

Vol 107 (31) ◽

pp. 6082-6090 ◽

Cited By ~ 18

Author(s):

Rodolfo Gómez-Balderas ◽

Michelle L. Coote ◽

David J. Henry ◽

Hanns Fischer ◽

Leo Radom

Keyword(s):

Radical Addition ◽

Methyl Radical

Download Full-text

The reliability of MINDO method for characterizing the transition state structures in radical addition reactions

Collection of Czechoslovak Chemical Communications ◽

10.1135/cccc19820802 ◽

1982 ◽

Vol 47 (3) ◽

pp. 802-808 ◽

Cited By ~ 2

Author(s):

Robert Ponec ◽

Jaroslav Málek

Keyword(s):

Hydrogen Atom ◽

Transition State ◽

Ab Initio ◽

Radical Addition ◽

Addition Reactions ◽

Methyl Radical ◽

Transition State Structures

The additions of the methyl radical and hydrogen atom to ethylene were chosen to test the reliability of MINDO method for predicting the transition state structures. It has been shown that the structures obtained at the level of the MINDO method differ markedly from the ab initio calculated structures.

Download Full-text