摘要
Correlation relationships of 10 topological indices and molar refraction for 47 struc- turally-complicated organotins which included 16 ionic compounds R_mSnX_(4-m) and 31 covalent ones R_4Sn that is 41 aliphatic compounds(15 unsaturated and 26 saturated)and 6 aromatic ones were studied.Suitability of these ten topological parameters for describing the structure of elemental or- ganic compounds was then evaluated according to the correlation results.Two lately improved molecular connectivity indices(MCIs)-radius-corrected MCI ~1X^r and bond-length-corrected MCI ~1X^b were applied and proved to be most suitable for the structure expression in QSA(P)R studies of organotins or other elemental organic compounds.
Correlation relationships of 10 topological indices and molar refraction for 47 struc- turally-complicated organotins which included 16 ionic compounds R_mSnX_(4-m) and 31 covalent ones R_4Sn that is 41 aliphatic compounds(15 unsaturated and 26 saturated)and 6 aromatic ones were studied.Suitability of these ten topological parameters for describing the structure of elemental or- ganic compounds was then evaluated according to the correlation results.Two lately improved molecular connectivity indices(MCIs)-radius-corrected MCI ~1X^r and bond-length-corrected MCI ~1X^b were applied and proved to be most suitable for the structure expression in QSA(P)R studies of organotins or other elemental organic compounds.
基金
This work was supported by the National Natural Science Foundation of China
