Calculation of Nuclear Magnetic Shielding Constants in Two Simple Systems

摘要

The nuclear magnetic shielding constants of two simple systems are calculated explicitly. These systems are (1) a nucleus μ at a distance R from a hydrogenic atom of charge ζe in the presence of an external electric field, and (2) a nucleus μ of a hydrogenic atom of charge ζe in the presence of a point charge at R with the result expanded in inverse powers of R. These calculations should prove useful in understanding the long‐range contributions of functional groups and neighboring molecules to observed chemical shifts of molecules.