Use of valence delta, δ~V in the molecular connectivity calculations and correlation with molar refraction

摘要

Molecular connectivity calculations have been carried out for highly anisotropic bidentate ligands (C_(2v) symmetry), organometallic substrates of the formulae, R2MX2 (where R is an alkyl group and X is a halogen atom) and organometallic chelates of the formulae, R2MLX (where L is a bidentate ligand). Multiple Chi, ~mX_t~v with reference to valence delta, δ~v have been calculated for the hydrogen suppressed graphs (skeletal structures) for each molecule and have been correlated with molar refractions. These correlations will play a vital role in the SAR studies of biologically active molecules.