简介

分类

作用

分子光谱

简介

molecular spectra

分子从一种能态改变到另一种能态时的吸收或发射光谱（可包括从紫外到远红外直至微波谱）。分子光谱与分子绕轴的转动、分子中原子在平衡位置的振动和分子内电子的跃迁相对应。

分类

分子能级之间跃迁形成的发射光谱和吸收光谱。分子光谱非常丰富，可分为纯转动光谱、振动 - 转动光谱带和电子光谱带。分子的纯转动光谱由分子转动能级之间的跃迁产生，分布在远红外波段，通常主要观测吸收光谱；振动 - 转动光谱带由不同振动能级上的各转动能级之间跃迁产生，是一些密集的谱线，分布在近红外波段，通常也主要观测吸收光谱；电子光谱带由不同电子态上不同振动和不同转动能级之间的跃迁产生，可分成许多带，分布在可见或紫外波段，可观测发射光谱。非极性分子由于不存在电偶极矩，没有转动光谱和振动-转动光谱带，只有极性分子才有这类光谱带。

作用

分子光谱是提供分子内部信息的主要途径，根据分子光谱可以确定分子的转动惯量、分子的键长和键强度以及分子离解能等许多性质，从而可推测分子的结构。

分子的内部运动状态发生变化所产生的吸收或发射光谱(从紫外到远红外直至微波谱)。分子运动包括整个分子的转动，分子中原子在平衡位置的振动以及分子内电子的运动，因此，分子光谱一般有三种类型：转动光谱、振动光谱和电子光谱。分子中的电子在不同能级上的跃迁产生电子光谱。由于它们处在紫外与可见区，又称为紫外可见光谱。电子跃迁常伴随能量较小的振转跃迁，所以它是带状光谱。与同一电子能态的不同振动能级跃迁对应的是振动光谱，这部分光谱处在红外区而称为红外光谱。振动伴随着转动能级的跃迁，所以这部分光谱也有较多较密的谱线，故又称振转光谱。纯粹由分子转动能级间的跃迁产生的光谱称为转动光谱。这部分光谱一般位于波长较长的远红外区和微波区而称为远红外光谱或微波谱。

分子光谱

（影印版）

作者： Jeanne L.McHale[美] 定价： ¥ 45.00 元

出版社： 科学出版社 出版日期： 2003年01月

ISBN： 7-03-010882-5/O.1676 开本： 16 开

类别： 分析化学及仪器,物理化学 页数： 463 页

简介

本书为中国科学院研究生教学丛书之一。本书为化学工作者提供了最新的分子光谱理论与应用信息，内容覆盖了原子光谱、转动光谱、振动光谱及电子光谱，并特别讨论了凝聚相分子光谱。本书从简要说明量子力学原理入手，系统介绍了光的性质、物质的电磁性质及电动力学等知识，结构安排合理，便于读者理解和掌握。

目录

PREFACE

1 INTRODUCTION AND REVIEW

1.1Historical Perspective

1.2Definitions,Derivations,and Discovery

1.3Review of Quantum Mechanics

1.4Approximate Solutions to the Schrodinger Equation

1.5Statistical Mechanics

1.6Summary

1.7Problems

BIBLIOGRAPHY

2 THE NATURE OF ELECTROMAGNETIC RADIATION

2.1Introduction

2.2The Classical Description of Electromagnetic Radiation

2.3Propagation of Light in Matter

2.4Quantum Mechanical Aspects of Light

2.5Summary

2.6Problems

BIBLIOGRAPHY

3 ELECTRIC AND MAGNETIC PROPERTIES OF MOLECULES AND BULK MATTER

3.1Introduction

3.2Electric Properties of Molecules

3.3Electric Properties of Bulk Matter

3.4Magnetic Properties of Matter

3.5Summary

3.6Problems

BIBLIOGRAPHY

4 TIME-DEPENDENT PERTURBATION THEORY OF SPECTROSCOPY

4.1Introduction:Time Dependence in Quantum Mechanics

4.2Time-Dependent Perturbation Theory

4.3Rate Expression for Emission

4.4Perturbation Theory Calculation of Polarizability

4.5Quantum Mechanical Expression for Emission Rate

4.6Time Dependence of the Density Matrix

4.7Summary

4.8Problems

BIBLIOGRAPHY

5 THE TIME-DEPENDENT APPROACH TO SPECTROSCOPY

5.1Introduction

5.2Tim-Correlation Functions and Spectra as Fourier Transform Pairs

5.3Properties of Time-Correlation Functions and Spectral Lineshapes

5.4The Fluctuation-Dissipation Theorem

5.5Rotational Correlation Functions and Pure Rotational Spectra

5.6Reorientational Spectroscopy of Liquids

5.7Vibration-Rotation Spectra

5.8Spectral Moments

5.9Summary

5.10Problems

BIBLIOGRAPHY

6 EXPERIMENTAL CONSIDERATIONS:ABSORPTION,EMISSION,AND SCATTERING

6.1Introduction

6.2Einstein A and B Coefficients for Absorption and Emission

6.3Absorption and Stimulated Emission

6.4Absorption and Emission Spectroscopy

6.5Measurement of Light Scattering:The Raman and Rayleigh Effects

6.6Spectral Lineshapes

6.7Summary

6.8Problems

BIBLIOGRAPHY

7 ATOMIC SPECTROSCOPY

7.1Introduction

7.2Good Quantum Numbers and Not So Good Quantum Numbers

7.3Selection Rules for Atomic Absorption and Emission

7.4The Effect to External Fields

7.5Atomic Lasers and the Principles of Laser Emission

7.6Summary

7.7Problems

BIBLIOGRAPHY

8 ROTATIONAL SPECTROSCOPY

8.1Introduction

8.2Energy Levels of Free Rigid Rotors

8.3Angular Momentum Coupling in Non-1∑Electronic States

8.4Nuclear Statistics and J States of Homonuclear Diatomic

8.5Rotational Absorption and Emission Spectroscopy

8.6Rotational Raman Spectroscopy

8.7Corrections to the Rigid-Rotor Approximation

8.8Internal Rotation

8.9Summary

8.10Problems

BIBLIOGRAPHY

9 VIBRATIONAL SPECTROSCOPY OF DIATOMICS

9.1Introduction

9.2The Born-Oppenheimer Approximation and Its Consequences

9.3The Harmonic Oscillator Model

9.4Selection Rules for Vibrational Transitions

9.5Beyond the Rigid Rotor-Harmonic Oscillator Approximation

9.6Summary

9.7Problems

BIBLIOGRAPHY

10 VIBRATIONAL SPECTROSCOPY OF POLYATOMIC MOLECULES

10.1Introduction

10.2Normal Modes of Vibration

10.3Quantum Mechanics of Polyatiomic Vibrations

10.4Group Theoretical Treatment of Vibrations

10.5Selection Rules for Infrared and Raman Scattering

10.6Rotatinoal Structure

10.7Anharmonicity

10.8Selection Rules at Work:Benzene

10.9Solvent Effects on Infrared Spectra

10.10Summary

10.11Problems

BIBLIOGRAPHY

11 ELECTRONIC SPECTROSCOPY

11.1Introduction

11.2Diatomic Molecules:Electronic States and Selection Rules

11.3Vibuational Structure in Electronic Spectra of Diatomics

11.4Born-Oppenheimer Breakdown in Diatomic Molecules

11.5Polyatomic Molecules:Electronic States and Selection Rules

11.6Transition Metal Complexes

11.7Emission Spectroscopy of Polyatomic Molecules

11.8Chromophores

11.9Solvent Effects in Electronic Spectroscopy

11.10Summary

11.11Problems

BIBLIOGRAPHY

12 RAMAN AND RESONANCE RAMAN SPECTROSCOPY

12.1Introduction

12.2Selection Rules in Raman Scattering

12.3Polarization in Raman Scattering

12.4Rotational and Vibrational Dynamics in Raman Scattering

12.5Analysis of Raman Excitation Profiles

12.6Time-Dependent Theory of Resonance Raman Spectra

12.7Raman Scattering as a Third-Order Nonlinear Process

12.8Summary

12.9Problems

BIBLIOGRAPHY

A.MATH REVIEW

A.1Vectors and Tensors in Three Dimensions

A.2Matrices

A.3Operations with Cartesian and Spherical Tensors

A.4Spherical harmonics

A.5Wigner Rotation Functions and Spherical Tensors

A.6The Clebsch-Gordan Series and 3j Symbols

BIBLIOGRAPHY

B.PRINCIPLES OF ELECTROSTATICS

B.1Units

B.2Some Applications of Gauss'Law

B.3Some Mathematical Detalis

C.GROUP THEORY

C.1Point Groups and Symmetry Operations

C.2Information Conveyed by Character Tables

C.3Direct Products and Reducible Representations

C.4Character Tables

BIBLIOGRAPHY

SUBJECT INDEX