MOLECULAR CONNECTIVITY OF ORGANOMETALLIC CHELATES AND INCLUSION OF VALENCE DELTA: CORRELATION WITH MOLAR REFRACTION

摘要

Molecular connectivity calculations have been carried out for highly anisotropic chelates of the formulae, R_2MLx type (where R is any alkyl group and L is a highly anisotropic bidentate ligand). Multiple Chi terms ~mX_t for hydrogen suppressed graphs(skeletal structures) and ~mX_t~v (multiple chi terms with the inclusion of valence delta, delta~v instead of vertex valence delta_i) have been correlated to the molar refraction, R_m by the stepwise multiple regression analysis of the first order. These correlations will play an active role in the SAR (Structure Activity Relationships) studies of the chelate molecules and also in finding potential use of bidentate ligands in removing metallic poisons from the human body.