'Bond order' diaporamas de présentation

Chapter 14

Chapter 14. Covalent Bonding: Orbitals. SP 3 Hybridization of methane. The 2s orbital and the three 2p orbitals are combined to form four equivalent orbitals, called sp 3 hybrids. SP 2 Hybridization of ethylene. One 2s and two 2p orbitals are used to form these hybrid orbitals.

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Ch121a Atomic Level Simulations of Materials and Molecules

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Models of Chemical Bonding

Models of Chemical Bonding. Models of Chemical Bonding. 9.1 Atomic Properties and Chemical Bonds. 9.2 The Ionic Bonding Model. 9.3 The Covalent Bonding Model. 9.4 Between the Extremes: Electronegativity and Bond Polarity. 9.5 An Introduction to Metallic Bonding. Chemical Bonds.

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Chapter 9:

Chapter 9:. Basic Concepts of Chemical Bonding NaCl versus C 12 H 22 O 11 . Types of Bonds. We can classify bonds based on the kinds of atoms that are bonded together. Tro: Chemistry: A Molecular Approach, 2/e. Types of Bonding. Tro: Chemistry: A Molecular Approach, 2/e.

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CHEMICAL BONDING II

CHEMICAL BONDING II. MOLECULAR ORBITAL THEORY II. C 2 + MOLECULE. NO MOLECULE. BOND ORDER. Bond order = number of bonding e- minus number of antibonding e- 2 If the bond order is zero ? no bond! divide by two because of pairs of electrons.

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Chemical Bonds:

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Chemical Bonds:

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CHEMICAL BONDING II

CHEMICAL BONDING II. MOLECULAR ORBITAL THEORY. DO NOW. Pick up handout. Get out homework handout. HOMEWORK ANSWERS #1. a . BrF 5 VE = 42; 6 e- pairs: 5 bonded pairs and 1 lone pair; shape: square pyramid b . C 2 H 2 VE = 10; 2 e- pairs: 2 bonded pairs; shape: linear

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10.8 Bond Order and Bond lengths Bond length estimation. 10.9 Bond Energies

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An Introduction to the Chemistry of Chromium

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Chapter 6 Lecture 2 Hard-Soft Acid-Base Concepts

Chapter 6 Lecture 2 Hard-Soft Acid-Base Concepts. Hard and Soft Acids and Bases Factors other than acid/base strength determine acid/base reactivity Silver Halide solubility AgX(s) + H 2 O Ag + (aq) + X - (aq)

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Molecular orbital theory

Molecular orbital theory. Overcoming the shortcomings of the valence bond. Learning objectives. Describe basic principles of MO theory Write MO diagrams for some simple diatomic molecules Explain optical and magnetic properties of O 2 using MO theory. Shortcomings of valence bond.

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Modelling the Phase Diagram of Carbon

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Molecular simulation methods

Molecular simulation methods. Ab-initio methods (Few approximations but slow) DFT CPMD Electron and nuclei treated explicitly. Classical atomistic methods (More approximations) Classical molecular dynamics Monte Carlo Brownian dynamics

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Chemistry 445. Lecture 3. Molecular Orbital Theory

Chemistry 445. Lecture 3. Molecular Orbital Theory. We start by reminding ourselves of the shapes and signs of the wavefunction on the atomic orbitals. Below are the s and three p orbitals, showing boundary surfaces (H&S Fig. 1.9).

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Triatomics

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III. The Molecular Orbital Model

III. The Molecular Orbital Model. Problems with the L.E. Model Assumes all e- are localized; this is not what is observed Unpaired e- are not described very well at all Gives us no clue to bond energies Molecular Orbital Model

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What is the valence MO electron configuration of the O 2 molecule?

What is the valence MO electron configuration of the O 2 molecule?. (2s ? ) 2 ( 2s ? *) 2 ( 2p ? ) 2 (2p ?) 4 (2s ? ) 2 ( 2s ? *) 2 ( 2p ? ) 2 ( 2p ? *) 2 (2p ?*) 4 (2s ? ) 2 ( 2s ? *) 2 ( 2p ? ) 2 (2p ?) 4 (2p ?*) 4 (2s ? ) 2 ( 2s ? *) 2 ( 2p ? ) 2 (2p ?) 4 (2p ?*) 2

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