Models for Bonding in Chemistry

£43.95

Models for Bonding in Chemistry

Chemistry Physical chemistry

Author: Valerio Magnasco

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Language: English

Published by: Wiley

Published on: 22nd July 2011

Format: LCP-protected ePub

Size: 6 Mb

ISBN: 9781119957348


Introduction

A readable little book assisting the student in understanding, in a nonmathematical way, the essentials of the different bonds occurring in chemistry.

Starting with a short, self-contained, introduction, Chapter 1 presents the essential elements of the variation approach to either total or second-order molecular energies, the system of atomic units (au) necessary to simplify all mathematical expressions, and an introductory description of the electron distribution in molecules.

Chapter 2

Using mostly 2x2 Hückel secular equations, Chapter 2, by far the largest part of the book because of the many implications of the chemical bond, introduces a model of bonding in homonuclear and heteronuclear diatomics, multiple and delocalized bonds in hydrocarbons, and the stereochemistry of chemical bonds in polyatomic molecules, in a word, a model of the strong first-order interactions originating the chemical bond.

Chapter 3

The Hückel model of the linear polyene chain is used to explain the origin of band structure in the 1-dimensional crystal.

Chapter 4

Deals with a simple two-state model of weak interactions, introducing the reader to understand second-order electric properties of molecules and VdW bonding between closed shells.

Chapter 5

Studies the structure of H-bonded dimers and the nature of the hydrogen bond, which has a strength intermediate between a VdW bond and a weak chemical bond. Besides a qualitative MO approach based on HOMO-LUMO charge transfer from an electron donor to an electron acceptor molecule, a quantitative electrostatic approach is presented yielding an electrostatic model working even at its simplest pictorial level.

A list of alphabetically ordered references, author and subject indices complete the book.

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