Deuterium Isotope Effect in Proton—13C Coupling Constants

1965 ◽  
Vol 42 (10) ◽  
pp. 3724-3725 ◽  
Author(s):  
Gideon Fraenkel ◽  
William Burlant
Keyword(s):  
Isotope Effect ◽  
Coupling Constants ◽  
Deuterium Isotope Effect

Stereochemical Implications from the Conformational Analysis of the Seven-membered Ring in 5-Oxabenzocycloheptene

1974 ◽  
Vol 52 (21) ◽  
pp. 3581-3588 ◽  
Author(s):  
Louis Canuel ◽  
Maurice St-Jacques
Keyword(s):  
Conformational Analysis ◽  
Isotope Effect ◽  
Computer Analysis ◽  
Line Shape ◽  
Activation Parameters ◽  
Membered Ring ◽  
Coupling Constants ◽  
Deuterium Isotope Effect ◽  
Long Distance ◽  
Deuterated Derivative

The computer analysis (LAOCN-3 program) of the p.m.r. spectrum of 5-oxabenzocycloheptene (3) at −105° has provided values for all coupling constants about the C3—C4 bond, while the complete line-shape simulation (DNMR program) has provided the following activation parameters: ΔG≠ = 9.5 kcal/mol (at −57°), ΔH≠ = 9.9 kcal/mol, and ΔS≠ = 1.5 e.u. A novel long distance (transannular) deuterium isotope effect has been discovered during the analysis of the spectrum of a partially deuterated derivative of 3. A comparison of the p.m.r. parameters for 5-oxabenzocycloheptene and benzocycloheptene provides the basic data from which stereochemical and conformational inferences can be made for more complex derivatives in this series.

Partial kinetic ‘resolution’ resulting from a deuterium isotope effect

1991 ◽  
Vol 0 (12) ◽  
pp. 801-802 ◽  
Author(s):  
Panayiotis Anastasis ◽  
Raymond Duffin ◽  
Christopher Gilmore ◽  
Karl Overton
Keyword(s):  
Isotope Effect ◽  
Kinetic Resolution ◽  
Deuterium Isotope Effect
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