Lewis Structures Valence BondTheory路易斯结构价键理论.pptVIP

Lewis Structure * * A molecule is composed of atoms that are bound together by sharing electron pairs. A bonding pair is of which two electrons are localized between two adjacent nuclei. A lone pair is that the electron pair is localized in an atom. Localized Electron Bonding Model Octet Rule electron dot (bar) formula 2 valence eletrons net charge 3 multiple bond 4 dative bond (arrow to the acceptor) formal charge What is the difference between f. c. ox. no 6 generally good thru the 3rd period What is the difference between f. c. ox. no Formal charge is for the comparison of the elctron change between the bonded and the non-bonded atomic molds. Oxidation number is for the comparison of the electron change between the oxidized and the reduced molds. Formal charge and oxidation numbers are the same for the ionic compounds. Disadvantage of Lewis Structure 1 Octet rule is no good for d orbital or d electrons involved species – use 18 electron rule 2 no good for electron delocalization – use resonance 3 Octet rule is no good for odd electron species 4 no information for geometry- use VSEPR 5 It does not explain the bonding character – use VBT or MOT Valence Bond Theory (VBT) Atomic orbitals that involve in chemical bonding are the major concern. ψiψj ≠ 0, wherein ψi and ψj represent the orbital wave functions of different atoms. VBT for H2 Consideration of simple orbital coulomb overlap: ΨI = ψ1sa(1)ψ1sb (2) ― curve a ΨI = ψ1sa(1) ψ1sb (2) experimental Consideration of indistinguishability of the electrons: Heitler –London functions: Attractive ΨII+ = ψ1sa(1)ψ1sb (2) + ψ1sa(2)ψ1sb (1) ― curve b Repulsive ΨII? = ψ1sa(1)ψ1sb (2) ? ψ1sa(2)ψ1sb (1) ― curve g ΨI = ψ1sa(1) ψ1sb (2) experimental ΨII+ = ψ1sa(1) ψ1sb(2) + ψψ1sa(2) ψ1sb(1) ΨII– = ψ1sa(1) ψ1sb(2) – ψ1sa(2) ψ1sb(1) Consideration of effective nulear charge: Ψ1s = N(z/a0)3/2exp(-zr/a0), z = 1.17 ― curve c The z-modification gives good bo