Molecular dynamic and conformational study of an unsaturated 12-crown-S2O2 ether and its Ag-I complexes
The preferred conformations and the complexional behaviour of mn-12S(2)O(2) were studied by means of both NMR spectroscopy and molecular modelling. Furthermore, the Ag-1 complexes of this ligand mn-12S(2)O(2) were also studied by molecular mechanical calculations.
nmr thiocrown ether ag(i) complexes molecular dynamic simulations