MOLECULAR TOPOLOGICAL INDEX AND ITS APPLICATION .4. RELATIONSHIPS WITH THE DIAMAGNETIC SUSCEPTIBILITIES OF ALKYL-IVA GROUP ORGANOMETALLIC HALIDES

摘要

On the basis of four-energy-level model proposed previously, a new topological index H-1 was introduced in the paper to investigate the diamagnetic susceptibility of the organometallics for the first time, which is essentially a kind of edge-weighted one in terms of the graph theory. The indices H-1's of the alkyl-IVA group organometallic halides, including halogen-substituted methanes and enthanes along with those represented by (CH3)(4)-(n)MX(n) (n = 0-4; M = Si, Ge, Sn), were calculated accordingly. Good linear relations were found between the H-1's and the corresponding diamagnetic susceptibilities chi(M)'s for each series of compounds with similar graphic representations. Moreover, estimation of chi(M)'s was made as to the compounds whose values are not experimentally measured yet. [References: 21]