Identification by means of heavy-atom isotope effects of a photoactivated reaction as a ground-state process

1978 ◽  
Vol 100 (20) ◽  
pp. 6502-6504 ◽  
Author(s):  
H. Kwart ◽  
D. A. Benko ◽  
J. Streith ◽  
J. L. Schuppiser
Keyword(s):  
Ground State ◽  
Isotope Effects ◽  
Heavy Atom ◽  
State Process

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.

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