FORCE-FIELDS OF HALIDE-SUBSTITUTED METHANE DERIVATIVES

The paper describes methods for determining the force fields of large sets of molecules which share the common property that in their consti tuent groups of molecules the equivalent force constants always change monotonically with the properties of substituent atoms belonging to t he same subgroup of the periodic table.;She force fields of the CH(4-n )X(n) (n = 0-4, X = F, Cl, Br, I) molecules of the methane series are obtained The applications of these force fields are discussed. In part icular, they can serve as a basis for a data bank of the force fields of fragments suitable for constructing the force fields of more comple x molecules.