[化学竞赛杂化1.pptVIP

§18.2 Structure of ABn Molecules （Abn分子的结构） 1. AB2 valence electron 6 + 7x2 = 20 H2O, H2S valence electron 8 i. Non linear type(bent) (20 valence electron) ex. OF2 , OCl2, SCl2, TeBr2 O: sp3 hybridization Evaluation only. Created with Aspose.Slides for .NET 3.5 Client Profile 5.2.0.0. Copyright 2004-2011 Aspose Pty Ltd. 18.1 Theory of hybrid orbital 杂化轨道理论 分子轨道理论 价键理论 化学键理论 价电子离域 价电子定域在两原子之间或成为孤对电子 每个原子提供一个价电子和一个轨道重叠成键 Evaluation only. Created with Aspose.Slides for .NET 3.5 Client Profile 5.2.0.0. Copyright 2004-2011 Aspose Pty Ltd. Each ? bond arises from the overlap of an H1s orbital with one of the O2p orbitals. This model suggests that the bond angle should be 90?, which is significantly different from the experimental value. 104.5° C2v O H H 2s 2p Pure p orbitals 2s 2p O 2H H2O O H H Why do atomic orbital need hybridization?为什么要杂化？ Evaluation only. Created with Aspose.Slides for .NET 3.5 Client Profile 5.2.0.0. Copyright 2004-2011 Aspose Pty Ltd. sp3 2s 2p O 2H O* sp3 Linus Pauling Hybridization (1931) Evaluation only. Created with Aspose.Slides for .NET 3.5 Client Profile 5.2.0.0. Copyright 2004-2011 Aspose Pty Ltd. Simplified MO diagram of diatomic molecules 分子轨道理论 Energy 2s 2s 1?g 1?u 2p 2p 2?g 2?u 1?u 1?g pz HOMO LUMO N2: KK(3σ)2 (4σ)2 (1π)4 (5σ)2 Evaluation only. Created with Aspose.Slides for .NET 3.5 Client Profile 5.2.0.0. Copyright 2004-2011 Aspose Pty Ltd. Hybridization of 2s and 2p 2s 和2p的杂化 Boundary surfaces of (a) 2s+2p (b) 2s-2p Evaluation only. Created with Aspose.Slides for .NET 3.5 Client Profile 5.2.0.0. Copyright 2004-2011 Aspose Pty Ltd. Energy diagram for X2: (a) with hybridization and (b) without 2s-2pz hybridization. The 1s orbitals are left out. (a) (b) Evaluation only. Created with Aspose.Slides for .NET 3.5 Client Profile 5.2.0.0. Copyright 2004-2011 Aspose Pty Ltd. 2. Construction of hybrid orbitals 杂化轨道的构造 If we begin with n AO’s, we must end up with n orbitals