Proton shielding function for hydrogen chloride

摘要: For a diatomic molecule the nuclear shielding constant σ(ξ) of either nucleus can be expanded as power series in relative displacement from equilibrium ξ. Thus function is where ξ=(r-r e)/r e with r actual bond length and length. The σe (i) are molecular parameters. By experimental observation temperature dependence proton magnetic hydrogen chloride gas it possible, after allowing for intermolecular effects, to obtain values (0)=32·48 (±0·33) p.p.m. (1)=-100 (±24) coefficients function. Using this data possible show that isotope shift between H37Cl H35Cl about 0·001 comparison earlier results would appear some instances differences vibrational rotational averaging may alter chemical shifts different compounds by amounts considerably larger than error shif...