Tritium nuclear magnetic resonance spectroscopy. Part III. Coupling constants and isotope effects, and calculation of 2 J HH coupling constants

Abstract

J _HT Couplings are closely predictable from J_HH couplings and vice versa: a new set of ²J_HH coupling constants has thus been derived, of higher precision than any previously calculated from ²J_HD couplings. Primary isotope effects become noticeable for the larger ¹J_CT couplings. Various secondary isotope effects on chemical shifts were noted.