CL-35 37 NMR CHEMICAL-SHIFTS AND NUCLEAR-QUADRUPOLE COUPLINGS FOR SOME SMALL CHLORINE COMPOUNDS - EXPERIMENTAL AND THEORETICAL-STUDY/

An experimental study and quantum-chemical density functional theory c alculations of Cl-35/37 NMR chemical shifts and nuclear quadrupole cou plings for some small chlorine compounds were performed, The experimen tal and theoretical data are in good agreement. The results clearly de monstrate that high field chlorine NMR can be used for identification of small chloride molecules. Solvent effects on chlorine chemical shif ts are estimated.