Accession Number : AD0612587

Title :   A SEMI-EMPIRICAL MO THEORY OF SIGMA ELECTRON SYSTEMS. II. BOND POLARITY AND ELECTRONEGATIVITY,

Corporate Author : PENNSYLVANIA UNIV PHILADELPHIA

Personal Author(s) : Hamano,Hidekazu

Report Date : 10 MAR 1964

Pagination or Media Count : 9

Abstract : A previously proposed theory (see AD-612 588) is applied to a study of the electronegativity scale and the ionic character of bonds. The general validity of the electronegativity scale and also the relation between the Mulliken and Pauling scales are discussed. The previously defined inductive effect is used as a basis for calculations on MXn-type molecules and on n-alkyl halide molecule. The results are then used for the qualitative interpretation of the experimental dipole moments, nuclear quadrupole coupling constants and fluorine chemical shifts. (Author)

Descriptors :   (*CHEMICAL BONDS, FIELD THEORY), (*MOLECULAR STRUCTURE, FIELD THEORY), (*HALOGENATED HYDROCARBONS, CHEMICAL BONDS), ATOMIC ORBITALS, ELECTRONS, ATOMIC ENERGY LEVELS, PERTURBATION THEORY, IONS, POLARIZATION, DIPOLE MOMENTS, NUCLEAR MOMENTS

Distribution Statement : APPROVED FOR PUBLIC RELEASE