南京大学结构化学双语课件CH5LEC3.pptVIP

5.35.4 Valence Bond TheoryHybrid Atomic Orbital Model and Its Application; 1. Hybrid Atomic Orbital Model （杂化轨道理论） ;Localization of A Chemical Bond;Localization of A Chemical Bond;Concept of Chemical Bond;Lewis Structures;Bond Angles and Atomic Orbital Hybridizations;Direction of A Hybrid Atomic OrbitalThrough Linear Combination of p Orbitals;Complete Form of Hybrid Atomic Orbitals与s轨道的混合;Normalization of A Hybrid Atomic Orbital;Orthogonality of Hybrid AOs;Bond Angles Between Two Hybrid AOs;For equivalent hybridizations:;Hybrid AO: sp杂化;x;Hybrid AO: sp2杂化;a = a, b, c;Transformation Matrix;HAO and SALC Transformation Matrices;S ST = I;Localized Molecular Orbital;Hybrid AO: sp3杂化;a = a, b, c, d;Transformation Matrix; 2. 杂化方式与C-C、C-H键长 ;List of C-C and C-H Bond Lengths; 3.价电子对互斥理论与分子的几何构型 Valence Shell Electron Pairs Repulsion (VSEPR) ;To Explain the Bond Angles;To Explain the Geometry of Noble-gas Compounds;To explain;Valence Shell Electron Pairs Repulsion Model;The VSEPR model assuming that: the valence shell electron pairs are arranged as far from one another as possible.;Steps to Decide the Molecular Geometry;Molecular Geometry and Electron Pair Numbers;In the Case of the Existence of Lone Pairs ;Summary: Molecular Geometry Prediction;Number of Objects;BF3 and NH3;SN=4, so VSEPR predicts a tetrahedral arrangement of 4 electron pairs. “normal” tetrahedral angle is 109.5 O. Experimental angle in CH4 = 109.5 O (no lone pairs). ;Ammonia, NH3;Water, H2O;VSEPR notes; PF5 - there are 2 axial and 3 equatorial sites. SF4 – seesaw. ClF3 - the 2 lone pairs occupy equatorial positions to minimize the lone pair - lone pair interaction. XeF2 - similarly, 3 lone pairs in equatorial sites.;VSEPR notes;Double bonded species;HOMEWORK 11, 15, 16, 17;5.3 Valence Bond Orbitals;5.3 Valence Bond Orbitals;5.3 Valence Bond Orbitals