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Oxford University Press eBooks

Introduction

N. J. B. Green

Published Sep 11, 1997• 0 citations
Publisher

Abstract

This introductory chapter provides an overview of quantum mechanics, which is a subject of central importance in chemistry, and is by nature a mathematical theory. The chemist's approach to the understanding of matter and its chemical transformations is to take a microscopic view, connecting experimental observation with the properties of constituent molecules. However, at the microscopic level, atoms, molecules, and their constituent particles do not obey the familiar laws of mechanics that pertain to the everyday macroscopic world. For example, the existence of molecular line spectra indicates that molecules can be found only at certain well-defined energies, unlike objects at our own scale whose energy appears to be continuously variable. This book aims to explain the fundamentals of quantum mechanics from the point of view of chemistry; describe the areas of chemistry where quantum mechanics is most important; and show how quantum mechanics is applied to chemical problems.

DOI
10.1093/hesc/9780198557616.003.0001

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Cambridge University Press eBooks•Mar 23, 2006•0 citations
This introductory chapter provides an overview of quantum mechanics, which is a subject of central importance in chemistry, and is by nature a mathematical theory. The chemist's approach to the understanding of matter and its chemical transformations is to take a microscopic view, connecting experimental observation with the properties of constituent molecules. However, at the microscopic level, atoms, molecules, and their constituent particles do not obey the familiar laws of mechanics that pertain to the everyday macroscopic world. For example, the existence of molecular line spectra indicates that molecules can be found only at certain well-defined energies, unlike objects at our own scale whose energy appears to be continuously variable. This book aims to explain the fundamentals of quantum mechanics from the point of view of chemistry; describe the areas of chemistry where quantum mechanics is most important; and show how quantum mechanics is applied to chemical problems.
Quantum Mechanics 1 starts from the basis that quantum mechanics is of central importance in chemistry. To understand matter and its chemical transformation it is necessary to take a microscopic view connecting experimental observation to the properties of constituent molecules. However, at this microscopic level, atoms and sub-atomic particles do not obey the classical laws of mechanics that pertain to the everyday macroscopic world. They obey the laws of quantum mechanics. This text explains the fundamentals of quantum mechanics from the point of view of chemistry; describes areas of chemistry where quantum mechanics is most important; and shows how quantum mechanics is applied to chemical problems. To this end, the book is divided into two parts: the first deals with the foundations of quantum mechanics (concentrating on exactly soluble problems and the reduction of complicated problems to simple foundations) and the second is a tool kit for applying quantum mechanics to chemical problems (thus concentrating on approximate methods).
Quantum Mechanics 2 opens by stating that the chemist's approach to the understanding of matter and its chemical transformations is to take a microscopic view, connecting experimental observation with the properties of the constituent molecules. Atoms and sub-atomic particles do not obey the classical laws of mechanics but conform rather to the laws of quantum mechanics. Quantum mechanics is thus of central importance in chemistry. In order to understand the behaviour of molecules and their constituent particles it is necessary to have a thorough grounding in the principles and applications of quantum mechanics. This text provides a toolkit for applying quantum mechanics to chemical problems, introducing more advanced approaches using approximate methods. It describes areas of chemistry where quantum mechanics is important, and shows how quantum mechanics can be applied to chemical problems.
When compared to classical mechanics (CM), quantum mechanics (QM) clearly appears as a difficult topic to the beginner. However, some knowledge of the basics of QM is a real need also for learners with predominant interest in experimental chemistry. Indeed, QM is the physical theory explaining most fundamental aspects of Chemistry, such as the periodic table of the elements and the chemical bond now called covalent, found by 19th century chemists and for a long time recognized as incompatible with the physical theories of the time (CM and classical electromagnetism). Going beyond the historical point of view, many peculiar aspects of QM and its very language permeate all modern chemistry so that a trustworthy understanding is required to deal with the matter in a sensible way.
Motivation You may ask why one needs to know about quantum mechanics. Possibly the simplest answer is that we live in a quantum world! Engineers would like to make and control electronic, opto-electronic, and optical devices on an atomic scale. In biology there are molecules and cells we wish to understand and modify on an atomic scale. The same is true in chemistry, where an important goal is the synthesis of both organic and inorganic compounds with precise atomic composition and structure. Quantum mechanics gives the engineer, the biologist, and the chemist the tools with which to study and control objects on an atomic scale. As an example, consider the deoxyribonucleic acid (DNA) molecule shown in Fig. 1.1. The number of atoms in DNA can be so great that it is impossible to track the position and activity of every atom. However, suppose we wish to know the effect a particular site (or neighborhood of an atom) in a single molecule has on a chemical reaction. Making use of quantum mechanics, engineers, biologists, and chemists can work together to solve this problem. In one approach, laser-induced fluorescence of a fluorophore attached to a specific site of a large molecule can be used to study the dynamics of that individual molecule. The light emitted from the fluorophore acts as a small beacon that provides information about the state of the molecule.
This modern textbook offers an introduction to Quantum Mechanics as a theory that underlies the world around us, from atoms and molecules to materials, lasers, and other applications. The main features of the book are: * Emphasis on the key principles with minimal mathematical formalism * Demystifying discussions of the basic features of quantum systems, using dimensional analysis and order-of-magnitude estimates to develop intuition * Comprehensive overview of the key concepts of quantum chemistry and the electronic structure of solids * Extensive discussion of the basic processes and applications of light-matter interactions * Online supplement with advanced theory, multiple-choice quizzes, etc.
The first objective of this chapter is to briefly review some of the basic ideas about the structure of matter, in particular the concepts of microscopic physics, in order to recall the knowledge gained in previous physics (and chemistry) courses and make it more precise. Our review will be very concise, and most statements will be made without any proof or detailed discussion. A second objective is to give a brief description of some of the crucial stages in the early development of quantum physics. We shall not follow the strict historical order of this development or present the arguments used at the beginning of the last century by the founding fathers of quantum mechanics; rather, we shall stress the concepts which we shall find useful later on. Our last objective is to give an elementary introduction to some of the basic ideas, like those of a quantum particle or energy level, that will reappear throughout this text. We shall base our review on the Bohr theory, which provides a simple, though far from convincing, explanation of how energy levels are quantized and how the spectrum of the hydrogen atom arises. This chapter should be reread later on, once the basic ideas of quantum mechanics have been made explicit and illustrated by examples. From the practical point of view, it is possible to skip the general considerations of Sections 1.1 and 1.2 at the first reading and begin with Section 1.3, returning to those two sections later on as needed.