Primary Semiclassical Kinetic Hydrogen Isotope Effects in Identity Carbon-to-Carbon Proton- and Hydride-Transfer Reactions, an ab Initio and DFT Computational Study

Scott Gronert; James R. Keeffe

doi:10.1021/jo0606296

Primary Semiclassical Kinetic Hydrogen Isotope Effects in Identity Carbon-to-Carbon Proton- and Hydride-Transfer Reactions, an ab Initio and DFT Computational Study

The Journal of Organic Chemistry ◽

10.1021/jo0606296 ◽

2006 ◽

Vol 71 (16) ◽

pp. 5959-5968 ◽

Cited By ~ 14

Author(s):

Scott Gronert ◽

James R. Keeffe

Keyword(s):

Ab Initio ◽

Hydrogen Isotope ◽

Computational Study ◽

Isotope Effects ◽

Hydride Transfer ◽

Transfer Reactions ◽

Hydride Transfer Reactions ◽

Ab Initio And Dft

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Hydrogen isotope effects in hydride transfer reactions of formaldehyde and glyoxal. An Ab initio and MNDO SCF-M.O. study

Journal of the Chemical Society Chemical Communications ◽

10.1039/c39870000998 ◽

1987 ◽

pp. 998 ◽

Cited By ~ 6

Author(s):

Indira H. Rajyaguru ◽

Henry S. Rzepa

Keyword(s):

Ab Initio ◽

Hydrogen Isotope ◽

Isotope Effects ◽

Hydride Transfer ◽

Transfer Reactions ◽

Hydride Transfer Reactions

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Effect of isotope scrambling and tunneling on the kinetic and product isotope effects for reduced nicotinamide adenine dinucleotide model hydride transfer reactions

Journal of the American Chemical Society ◽

10.1021/ja00362a019 ◽

1983 ◽

Vol 105 (24) ◽

pp. 7139-7149 ◽

Cited By ~ 68

Author(s):

Michael F. Powell ◽

Thomas C. Bruice

Keyword(s):

Nicotinamide Adenine Dinucleotide ◽

Isotope Effects ◽

Hydride Transfer ◽

Transfer Reactions ◽

Nicotinamide Adenine ◽

Hydride Transfer Reactions ◽

Reduced Nicotinamide Adenine Dinucleotide ◽

Product Isotope

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Substituent Effects on Temperature Dependence of Kinetic Isotope Effects in Hydride-Transfer Reactions of NADH/NAD+ Analogues in Solution: Reaction Center Rigidity Is the Key

Organic Letters ◽

10.1021/acs.orglett.0c02049 ◽

2020 ◽

Vol 22 (15) ◽

pp. 5963-5967

Author(s):

Peter Maness ◽

Shailendra Koirala ◽

Pratichhya Adhikari ◽

Nasim Salimraftar ◽

Yun Lu

Keyword(s):

Temperature Dependence ◽

Reaction Center ◽

Isotope Effects ◽

Substituent Effects ◽

Hydride Transfer ◽

Kinetic Isotope Effects ◽

Transfer Reactions ◽

Kinetic Isotope ◽

Solution Reaction ◽

Hydride Transfer Reactions

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Steric Effects on the Primary Isotope Dependence of Secondary Kinetic Isotope Effects in Hydride Transfer Reactions in Solution: Caused by the Isotopically Different Tunneling Ready State Conformations?

Journal of the American Chemical Society ◽

10.1021/jacs.5b03085 ◽

2015 ◽

Vol 137 (20) ◽

pp. 6653-6661 ◽

Cited By ~ 11

Author(s):

Binita Maharjan ◽

Mahdi Raghibi Boroujeni ◽

Jonathan Lefton ◽

Ormacinda R. White ◽

Mortezaali Razzaghi ◽

...

Keyword(s):

Isotope Effects ◽

Hydride Transfer ◽

Kinetic Isotope Effects ◽

Transfer Reactions ◽

Steric Effects ◽

Kinetic Isotope ◽

Hydride Transfer Reactions

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Solvent effects on the temperature dependence of the primary kinetic isotope effects for hydride transfer reactions in solution

10.1021/scimeetings.0c05537 ◽

2020 ◽

Author(s):

Pratichhya Adhikari ◽

Shailendra Koirala

Keyword(s):

Temperature Dependence ◽

Solvent Effects ◽

Isotope Effects ◽

Hydride Transfer ◽

Kinetic Isotope Effects ◽

Transfer Reactions ◽

Kinetic Isotope ◽

Hydride Transfer Reactions

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Isotope Effects on Hydride Transfer Reactions from Transition Metal Hydrides to Trityl Cation. An Inverse Isotope Effect for a Hydride Transfer

Journal of the American Chemical Society ◽

10.1021/ja983448x ◽

1999 ◽

Vol 121 (13) ◽

pp. 3150-3155 ◽

Cited By ~ 40

Author(s):

Tan-Yun Cheng ◽

R. Morris Bullock

Keyword(s):

Transition Metal ◽

Isotope Effect ◽

Isotope Effects ◽

Metal Hydrides ◽

Hydride Transfer ◽

Transfer Reactions ◽

Transition Metal Hydrides ◽

Hydride Transfer Reactions ◽

Inverse Isotope Effect ◽

Trityl Cation

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Computational Replication of the Primary Isotope Dependence of Secondary Kinetic Isotope Effects in Solution Hydride-Transfer Reactions: Supporting the Isotopically Different Tunneling Ready State Conformations

The Journal of Physical Chemistry A ◽

10.1021/acs.jpca.6b03571 ◽

2016 ◽

Vol 120 (25) ◽

pp. 4277-4284 ◽

Cited By ~ 5

Author(s):

Mortaza Derakhshani-Molayousefi ◽

Sadra Kashefolgheta ◽

James E. Eilers ◽

Yun Lu

Keyword(s):

Isotope Effects ◽

Hydride Transfer ◽

Kinetic Isotope Effects ◽

Transfer Reactions ◽

Kinetic Isotope ◽

Hydride Transfer Reactions

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Solvent effects on the temperature dependence of the primary kinetic isotope effects for hydride transfer reactions in solution

10.1021/scimeetings.0c05540 ◽

2020 ◽

Author(s):

Pratichhya Adhikari ◽

Shailendra Koirala

Keyword(s):

Temperature Dependence ◽

Solvent Effects ◽

Isotope Effects ◽

Hydride Transfer ◽

Kinetic Isotope Effects ◽

Transfer Reactions ◽

Kinetic Isotope ◽

Hydride Transfer Reactions

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Solvent effects on the temperature dependence of the primary kinetic isotope effects for hydride transfer reactions in solution

10.1021/scimeetings.0c05543 ◽

2020 ◽

Author(s):

Pratichhya Adhikari ◽

Shailendra Koirala

Keyword(s):

Temperature Dependence ◽

Solvent Effects ◽

Isotope Effects ◽

Hydride Transfer ◽

Kinetic Isotope Effects ◽

Transfer Reactions ◽

Kinetic Isotope ◽

Hydride Transfer Reactions

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Solvent effects on the temperature dependence of the primary kinetic isotope effects for hydride transfer reactions in solution

10.1021/scimeetings.0c05539 ◽

2020 ◽

Author(s):

Pratichhya Adhikari ◽

Shailendra Koirala

Keyword(s):

Temperature Dependence ◽

Solvent Effects ◽

Isotope Effects ◽

Hydride Transfer ◽

Kinetic Isotope Effects ◽

Transfer Reactions ◽

Kinetic Isotope ◽

Hydride Transfer Reactions

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