Intramolecular interactions in phosphoryl compounds

摘要: 1. Calculations of the charges on atoms and groups a number phosphoryl molecules were performed basis principle incomplete equalization electronegativities. The data obtained compared with experimental meterial energies H-bonds phenol. 2. The substituents OC2H5, OC6H5, [N(CH3)3] are characterized by significant role resonance influence electron density oxygen. conjugation is substantially less for Cl C6H5. Within limits error calculation experiment, there no component SC2H5 SC6H5 groups. 3. The nature variations dipole moments group under both inductive interactions was evaluated.