COMPETITION BETWEEN n,?- AND n,?-ORBITAL INTERACTIONS IN CHLORINATED ETHERS R-O-CHClR1

Article abstract of DOI:10.1007/BF00961034

Using the AM-1 method, we have studied CH2=CH-O-CHClR¹ molecules (R¹ = H, Me).We have shown that the sc conformation with respect to the C_sp3-O bond is preferred.We have systematized the 35Cl NOR data on the degree of manifestation of the generalized anomeric effect in R-OCHClR¹ 2C(=O)> molecules.We have established that enhancement of n,? conjugation in the R-O fragment leads to weakening of the n,? interaction in the O-C-Cl triad.