An. Egorochkin et al., CHARGE CONTROL IN THE FORMATION OF COMPLEXES OF PHENOL WITH ETHYLENE DERIVATIVES CONTAINING ORGANOELEMENTAL GROUP IVB SUBSTITUENTS, Russian chemical bulletin, 42(8), 1993, pp. 1316-1320
The DELTAv(OH) frequency shifts of phenol and the DELTAv(R) resonance
components of these shifts in the IR spectra of phenol H-complexes wit
h ethylene derivatives containing various substituents including organ
osilicon, organogermanium, and organotin groups have been studied. The
relationship between DELTAv and DELTAv(R) and the values that charact
erize the influence of substituents on the effective charges of the do
uble bonded carbon atoms was established; the latter values have been
calculated previously using ab initio quantum chemical methods. The ef
fective charges for the compounds with organoelemental substituents ha
ve been calculated. It has been elucidated that of the two types of po
ssible interactions, charge controlled and orbital controlled, occurri
ng in the formation of a complex of a hard acid, phenol, with the stud
ied ethylene derivatives, the former is predominant.