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We investigate the nuclear isotropic shielding constants and spin-spincoupling for oxygen and carbons atoms of isomers of tartaric acid in gas phaseand water solutions by Monte Carlo simulation and quantum mechanicscalculations using the GIAO-B3LYP approach. Solute polarization effects areincluded iteratively and play an important role in the quantitativedetermination of shielding constants. Our MP2/aug-cc-pVTZ results showsubstantial increases of the dipole moment in solution as compared with the gasphase results (61-221%). The solvent effects on the {\sigma}(13C) [J(C-C)]values are in general small. More appreciable solvent effects can be seen onthe {\sigma}(17O) and J(C-O).

GIAO-DFT Isotropic magnetic shielding constants and spin-spin coupling of tartaric acid in water solution