Vibrational and temperature dependence of the NMR shielding and coupling constants in molecules

Shieldings and (in particular) indirect spin-spin coupling constants are often strongly dependent on electron correlation. Thus, in order to obtain agreement between theory and NMR experiments it is mandatory to use high level correlated methods. However, the question of the importance of considering the nuclear motion is not investigated to the same extent. The lecture will address the question in a few sample cases, including (1) The temperature dependence of the fluorine shielding in CH3F, (2) Isotope and temperature dependence of the coupling constants of CH4, (3) Vibrational corrections to the spin-spin coupling constants of XH4 (X=Si, Ge and Sn) molecules