Lf. Li et al., MOLECULAR TOPOLOGICAL INDEX AND ITS APPLICATION .4. RELATIONSHIPS WITH THE DIAMAGNETIC SUSCEPTIBILITIES OF ALKYL-IVA GROUP ORGANOMETALLIC HALIDES, Journal of chemical information and computer sciences, 35(4), 1995, pp. 697-700
Citations number
21
Categorie Soggetti
Information Science & Library Science","Computer Application, Chemistry & Engineering","Computer Science Interdisciplinary Applications",Chemistry,"Computer Science Information Systems
On the basis of four-energy-level model proposed previously, a new top
ological index H-1 was introduced in the paper to investigate the diam
agnetic susceptibility of the organometallics for the first time, whic
h is essentially a kind of edge-weighted one in terms of the graph the
ory. The indices H-1's of the alkyl-IVA group organometallic halides,
including halogen-substituted methanes and enthanes along with those r
epresented by (CH3)(4)-(n)MX(n) (n = 0-4; M = Si, Ge, Sn), were calcul
ated accordingly. Good linear relations were found between the H-1's a
nd the corresponding diamagnetic susceptibilities chi(M)'s for each se
ries of compounds with similar graphic representations. Moreover, esti
mation of chi(M)'s was made as to the compounds whose values are not e
xperimentally measured yet.