A new Cu(Ⅱ) coordination polymer [Cu(inio)2(H2O)]( (inio = isonicotinic acid N-oxide) with chemical formula C12H10CuN2O7 was prepared and its crystal structure
29 aromatic compounds were computed at the HF/6-31G* level. Based on linear solvation energy theory firstly, the parameters of molecular structure were taken as