LONG-RANGE COUPLING CONSTANTS IN THE N.M.R. SPECTRA OF OLEFINES

1960 ◽  
Vol 38 (4) ◽  
pp. 549-553 ◽  
Author(s):  
Robert R. Fraser
Keyword(s):  
Perturbation Theory ◽  
Long Range ◽  
Methyl Esters ◽  
Coupling Constants ◽  
Order Perturbation ◽  
Order Perturbation Theory ◽  
First Order ◽  
First Order Perturbation

The spectra of tiglic and angelic acids and their methyl esters have been determined and analyzed by first-order perturbation theory. The magnitudes of the long-range coupling constants were found to be greater in each instance for trans oriented hydrogens than for cis hydrogens. All long-range coupling constants already reported have been examined and found to be consistent with the proposal that trans coupling constants are larger than cis coupling constants for hydrogens separated by more than three bonds.

First Order Perturbation Theory in the Study of Molecular Vibrations: Isotopic Rules and Properties of the Different Approximations

1973 ◽  
Vol 28 (9) ◽  
pp. 1408-1413
Author(s):  
A. Alix ◽  
N. Mohan ◽  
A. Midler ◽  
S. N. Rai
Keyword(s):  
Perturbation Theory ◽  
Coupling Constants ◽  
Order Perturbation ◽  
Order Perturbation Theory ◽  
Coriolis Coupling ◽  
Molecular Constants ◽  
Mean Amplitudes Of Vibration ◽  
First Order ◽  
Isotopic Shifts ◽  
First Order Perturbation

The first order perturbation expressions for various molecular constants such as isotopic shifts (⊿λi, ⊿λi/λi), inverse isotopic shifts (⊿σi, ⊿σi/σi), Coriolis coupling constants (Δξij)and mean amplitudes of vibration (Δ∑ij) obtained using different equations and approximations are given in detail.The mathematical and physical properties of the different approximations are discussed extensively. Incidentally some isotopic rules obtained using the first order perturbation theory are presented.

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