Heavy-Atom Isotope Effects on Reactions of Co(III)-Boundp-Nitrophenyl Phosphate:  Nucleophilic Displacements ofp-Nitrophenol and Dissociation ofp-Nitrophenyl Phosphate

1997 ◽  
Vol 119 (3) ◽  
pp. 542-549 ◽  
Author(s):  
Jill Rawlings ◽  
Alvan C. Hengge ◽  
W. W. Cleland
Keyword(s):  
Isotope Effects ◽  
Heavy Atom ◽  
Nitrophenyl Phosphate

Theoretical Simulations of Heavy-Atom Kinetic Isotope Effects in Aliphatic Claisen Rearrangement

2020 ◽  
Vol 124 (51) ◽  
pp. 10678-10686
Author(s):  
Yuqing Xu ◽  
Kin-Yiu Wong ◽  
Meishan Wang ◽  
Desheng Liu ◽  
Wenkai Zhao ◽  
...  
Keyword(s):  
Claisen Rearrangement ◽  
Isotope Effects ◽  
Heavy Atom ◽  
Kinetic Isotope Effects ◽  
Kinetic Isotope ◽  
Theoretical Simulations

The influence of charge on nuclear magnetic resonance isotope effects

1987 ◽  
Vol 65 (12) ◽  
pp. 2707-2712 ◽  
Author(s):  
Roderick E. Wasylishen ◽  
Neil Burford
Keyword(s):  
Nuclear Magnetic Resonance ◽  
Magnetic Resonance ◽  
Isotope Effects ◽  
Heavy Atom ◽  
Coupling Constants ◽  
Molecular Orbital Calculations ◽  
Isoelectronic Series ◽  
Deuterium Isotope Effects ◽  
Charged Ions ◽  
Nuclear Magnetic

Deuterium isotope effects on the 31P shielding constants and spin–spin coupling constants in the isoelectronic series, PH2−, PH3, PH4+, are examined. Also, deuterium isotope effects on the nuclear magnetic resonance parameters of SnH3− are examined and compared with our earlier results on SnH4 and SnH3+. The experimental results are analyzed using the models of Jameson and Osten. In each isoelectronic series it is found that the isotope effects on the heavy atom chemical shifts are largest for the negatively charged ions and essentially zero for the positively charged ions, as predicted by recent molecular orbital calculations. The primary isotope effects on J(A,H) are positive for all species containing lone-pair electrons, otherwise Δp1J(A,H) is negative. The primary and secondary isotope effects on J(Sn,H) in the SnH3− ion are the largest reported to date.

Kinetic Isotope Effects and Stereochemical Studies on a Ribonuclease Model: Hydrolysis Reactions of Uridine 3′-Nitrophenyl Phosphate

2000 ◽  
Vol 28 (3) ◽  
pp. 119-133 ◽  
Author(s):  
Alvan C. Hengge ◽  
Karol S. Bruzik ◽  
Aleksandra E. Tobin ◽  
W.W. Cleland ◽  
Ming-Daw Tsai
Keyword(s):  
Isotope Effects ◽  
Kinetic Isotope Effects ◽  
Kinetic Isotope ◽  
Nitrophenyl Phosphate ◽  
Hydrolysis Reactions
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