Calculations of Isotopic Effects on Spin-Spin Coupling Constants 1JCH and 13C Chemical Shifts in Methane, Ethylene and Acetylene
The isotopic effects on coupling constants 1J(CH) and 13C chemical shifts have been calculated using a general geometrical model which relates isotopic effects on the NMR parameters to vibrational bond lengths, Rg, and mean square amplitudes, 1.
KeywordsBond Length Isotopic Effect Substitution Effect Upfield Shift Isotopic Substitution
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