RAMAN

SPECTROSCOPY,
VOLUME I
 RAMAN
SPECTROSCOPY,
VOLUME I
Principles and Applications in
Chemistry, Physics, Materials
Science, and Biology

Part 1: Principles

GÜNTER G. HOFFMANN
Raman Spectroscopy, Volume I: Principles and Applications in Chemistry,
Physics, Materials Science, and Biology

Copyright © Momentum Press®, LLC, 2019.

All rights reserved. No part of this publication may be reproduced, stored

in a retrieval system, or transmitted in any form or by any means—
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brief quotations, not to exceed 250 words, without the prior permission
of the publisher.

First published in 2019 by

Momentum Press®, LLC
222 East 46th Street, New York, NY 10017
www.momentumpress.net

ISBN-13: 978-1-94561-200-8 (print)

ISBN-13: 978-1-94561-201-5 (e-book)

Momentum Press Materials Characterization and Analysis Collection

Collection ISSN: 2377-4347 (print)

Collection ISSN: 2377-4355 (electronic)

DOI: 10.5643/9781945612015

Cover and interior design by S4Carlisle Publishing Services Private Ltd.

Chennai, India

First edition: 2019

10 9 8 7 6 5 4 3 2 1

Printed in the United States of America

 Dedicated to

Heike, Marcel, Vanessa, David, and Charlotte.

 Abstract

The book provides an up-to-date overview of the fast-growing area of

Raman spectroscopy. The two-volume work describes how analytic
­
­methods using Raman spectroscopy allow for the chemical analysis of ma-
terials, providing even spatial resolution without precedent. In addition,
external perturbations (strain, temperature, pressure) on molecules and
their alignment can be analyzed. Raman spectroscopy can also provide
information about the interactions of components, again at a high level
of spatial resolution. In the form of tip-enhanced Raman spectroscopy
(TERS), the method is a valuable tool for nanotechnology.
This book is intended for researchers or lecturers in chemistry and
materials science, who are interested in the composition and properties of
their samples. It describes how Raman spectroscopy will enable them to
examine thin layers, surfaces, and interfaces and improve their knowledge
about the properties of composites. In addition, it can serve as a short
­introduction to vibrational spectroscopy. Students at the first graduate
level will benefit from it as well.

KEYWORDS

Ab initio calculation; Character tables; Charge coupled device (CCD);

­Density functional theory (DFT); Depolarization ratio; FT-Raman; Group
theory; History; Normal coordinate analysis (NCA); Organic ­compounds;
Placzek’s theory; Radiation sources; Raman detectors; R
­ aman ­spectra; ­Raman
­spectrometers; Symmetry elements; Temperature ­measurements; ­Vibrations;
­Vibrational frequencies
 Contents

Scope of This Book xv

Acknowledgments xvii
Chapter 1 Introduction 1
Books and Reviews 2
Raman Libraries 3
Chapter 2 History 7
Chapter 3 Theory 9
3.1 Introduction 9
3.2 Classical Theory 11
3.3 Placzek’s Theory 13
3.4 Ab Initio Calculation of Vibrational Spectra 13
3.5 Group Theory 16
Chapter 4 Instruments 23
4.1 Sources of Radiation 23
4.1.1 Sunlight 23
4.1.2 Mercury-Vapor Lamp 23
4.1.3 Lasers 24
4.2 Mono- and Polychromators 28
4.3 Filters 28
4.4 Detectors 29
4.4.1 Photomultipliers 29
4.4.2 Semiconductor Detectors 30
Array Sensors 30
4.5 Sample Arrangements 31
4.6 Types of Instruments 33
4.7 State-of-the-Art in Commercial Spectrometers 34
4.7.1 Raman Spectrometers for Research 35
4.7.2 Handheld Raman Spectrometers 36
Thermo Scientific 37
Bruker 37
x  •  Contents

HORIBA 38
DeltaNu/Intevac 38
Metrohm 38
B&W Tek 38
BioTools 38
Raman Microscopes 39

Chapter 5 Raman Spectroscopy of Organic

Compounds 41
5.1 Aliphatic Carbon Compounds 41
5.1.1 Alkanes 41
Acyclic Aliphatic Compounds 42
Methine Group 43
5.1.2 Cycloalkanes 45
5.1.3 Haloalkanes 46
5.1.4 Alkenes 54
Monosubstituted Alkenes 54
Disubstituted Alkenes 54
Trialkylsubstituted Alkenes 57
Tetraalkylsubstituted Alkenes 57
Allenes57
5.1.5 Alkines 58
5.2 Oxygen-Containing Aliphatic Compounds 59
5.2.1 Alcohols 59
5.2.2 Ethers 62
5.2.3 Acetals 62
5.2.4 Peroxides 63
5.2.5 Aldehydes and Ketones 64
5.2.6 Carboxylic Acids 67
5.2.7 Cyclic Anhydrides 72
5.2.8 Esters 72
5.2.9 Lactones 72
5.3 Nitrogen-Containing Aliphatic Compounds 74
5.3.1 Amines 74
5.3.2 Amides 75
5.3.3 Lactams 79
5.3.4 Nitroalkanes 80
5.3.5 Nitrates 82
5.3.6 Nitrites 82
5.3.7 Imines 82
5.3.8 Amidines 82
5.3.9 Oximes 83
5.3.10 Hydrazones 83
 Contents  •   xi

5.3.11 Azines 83
5.3.12 Azo Compounds 84
5.3.13 Nitriles 85
5.3.14 Cyanides 85
5.3.15 Rhodanides 85
5.3.16 Azides 86
5.4 Sulfur-Containing Aliphatic Compounds 86
5.4.1 Thiols 86
5.4.2 Sulfides 86
5.4.3 Disulfides 87
5.4.4 Polysulfides 89
5.4.5 Thiocarboxylic Acids and Derivatives 89
5.4.6 Thionyl Compounds 89
5.4.7 Sulfonyl Compounds 90
5.5 Benzene and Its Derivatives 91
5.5.1 Aromatic Halogen Compounds 96
5.5.2 Monosubstituted Benzene Derivatives 97
5.5.3 Disubstituted Benzene Derivatives 98
ortho-Disubstituted Benzene Derivatives 98
meta-Disubstituted Benzene Derivatives 101
para-Disubstituted Benzene Derivatives 102
5.5.4 Trisubstituted Benzene Derivatives 103
1,2,4-Trisubstituted Benzene Derivatives 104
1,3,5-Trisubstituted Benzene Derivatives 105
5.5.5 Tetrasubstituted Benzene Derivatives 106
1,2,3,4-Tetrasubstituted Benzene
Derivatives 106
1,2,3,5-Tetrasubstituted Benzene
Derivatives 107
1,2,4,5-Tetrasubstituted Benzene
Derivatives 107
5.5.6 Pentasubstituted Benzene Derivatives 108
5.5.7 Hexasubstituted Benzene Derivatives 109
5.5.8 Naphthalenes 110
5.5.9 Anthracenes and Phenanthrenes 110
5.6 Heterocycles 111
5.6.1 Three-Membered Rings 111
5.6.2 Four-Membered Rings 112
5.6.3 Five-Membered Rings 113
Pyrrolidine 114
Tetrahydrothiophene 115
Silacyclopentane 115
xii  •  Contents

Germylcyclopentane 115
Selenacyclopentane 116
5.6.4 Six-Membered Rings 117
Pyridine117
Triazine 118
References 121
About The Author 139
Index 141
 Prospective Content of
Volume 2 – Applications

Chapter 6 Raman Spectroscopy of Natural Products

Chapter 7 Raman Spectroscopy of Polymers
Chapter 8 Rheo-optical Spectroscopy of Polymers
Chapter 9 Raman Spectroscopy of Gases
Chapter 10 Time-Resolved Raman Spectroscopy
Chapter 11 Raman Spectroscopy of Crystals
Chapter 12 Raman Spectroscopy of Inorganic Compounds
Chapter 13 Nonlinear Raman Spectroscopy
Chapter 14 Resonance Raman Spectroscopy
Chapter 15 Coherent Anti-Stokes Raman Spectroscopy (CARS)
Chapter 16 Hyper Raman
Chapter 17 Surface-Enhanced Raman Spectroscopy (SERS)
Chapter 18 Tip-Enhanced Raman Spectroscopy (TERS)
Chapter 19 Raman Optical Activity (ROA)
Chapter 20 Industrial Applications of Raman Spectroscopy
Chapter 21 Comparison of the Analytical Capabilities of Raman
to Other Well-Known Materials Analysis Techniques

Chapter 22 Forensic Applications of Raman Spectroscopy

Chapter 23 Raman Spectroscopy for the Study of Works of
Art and other Objects of Cultural Heritage
Chapter 24 Medical Applications of Raman Spectroscopy
 Scope of This Book

The book provides an up-to-date overview of the fast-growing area of

Raman spectroscopy. Analytic methods using Raman spectroscopy allow
for the chemical analysis of materials, providing even spatial resolution
without precedent. In addition, external perturbations (strain, tempera-
ture, pressure) on molecules and their alignment can be analyzed. Raman
spectroscopy can also provide information about the interactions of com-
ponents, this again at a high level of spatial resolution. In the form of
tip-enhanced Raman spectroscopy (TERS), the method is a valuable tool
for nanotechnology.
This book is intended for researchers or lecturers in chemistry and
materials science, who are interested in the composition and properties of
their samples. It describes how Raman spectroscopy will enable them to
examine thin layers, surfaces, and interfaces and improve their knowledge
about the properties of composites. Additionally it can serve as a short
­introduction to vibrational spectroscopy. Students at the first graduate
level will benefit from it as well.
 Acknowledgments

I wish to thank John M. Chalmers, Stokesley, and Joel Stein, Momentum

Press, for the opportunity to write this book and have it published.
The disposition of drawings and Raman spectra by Dr. Armin
­Gembus, Dr. Jürgen Sawatzki, Michael Müller, and Bruker Optik GmbH
is gratefully acknowledged.
Special thanks are due to Prof. Dr. Heinz W. Siesler, Essen, for care-
fully reading and commenting on the manuscript.
 CHAPTER 1

Introduction

Vibrational spectroscopy played an important role in chemistry, being very

helpful in the structural determination of chemical compounds. After the
discovery of infrared (IR) radiation by Herschel (1800), the first IR spec-
tra were published by William Weber Coblentz in 1905 and later a catalog
of the IR spectra of hundreds of organic compounds and some others was
issued by Coblentz (Thomas 1991). IR spectroscopy provided chemists
with “fingerprints” of their compounds. However, IR spectroscopy did not
become common practice before the late 1930s, when the first commercial
instruments were built by Perkin-Elmer and Beckman company.
Raman spectroscopy, discovered about a quarter century later than
IR spectroscopy, in principle provides the same information as its com-
plementary technique. Studying the same vibrations, it provides the iden-
tity and composition of the sample studied. Even external perturbations
(strain, temperature, pressure) on molecules and their alignment can be
analyzed. The technique was limited to bulk material for a long time. The
use of a microscope allowed for the study of samples down to 200 to 300
nm spatial resolution. According to Abbe’s law, a better resolution could
not be achieved with a microscope:

d = 0.5λ/NA  Abbe’s law (Eq. 1.1)

where λ is the wavelength of radiation used and NA the numerical aperture

This situation changed when it was found that the electromagnetic
field at the surface of a laser-irradiated sample could be hugely enhanced
by using gold or silver as the tip of the scanning element in atomic force
microscopy (AFM). Now a resolution of 20 nm is routinely possible, in
special cases even a resolution of 1 nm!
A recent article by Daniel Rabinovich (2016) brought my focus to a
stamp portraying Sir Chandrasekhara Venkata Raman. I managed to buy a
first day cover of this stamp (Figure 1.1), also showing the simple apparatus
2  •   RAMAN SPECTROSCOPY, VOLUME I

Figure 1.1.  First day cover honoring Sir Chandrasekhara Venkata Raman.

Raman used. The stamp shows Raman’s portrait, his signature, the Raman
spectrum of carbon tetrachloride, and a diamond.
The interest in Raman spectroscopy is not diminished till now: a search
for 2017 provided 18,000 papers with the word Raman in the title, keywords,
or abstract; for the first five months of 2018, already more than 7,000 Raman
papers can be found. This is due to the large portfolio of techniques related
to Raman spectroscopy available today. So the first volume of this work de-
scribes the theory and practice of the parent technique, whereas the more
complicated techniques are detailed in the second volume.
This book covers the literature until May 2018.

Books and Reviews

A number of excellent books and reviews about the Raman effect and
related subjects have been published and are used throughout this book.

Atkins (1983), Molecular Quantum Mechanics.

Bentley et al. (1968), Infrared Spectra and Characteristic Frequencies
700–300 cm−1.
Brittain et al. (1970), Introduction to Molecular Spectroscopy.
Califano (1976), Vibrational States.
Chalmers and Griffiths (2002), Handbook of Vibrational Spectroscopy.
Clark and Hester (1984), Advances in Infrared and Raman Spectroscopy.
Colthup et al. (1990), Introduction to Infrared and Raman Spectros-
copy.
 Introduction  •   3

Daimay et al (1991), Handbook of Infrared and Raman Characteristic

Frequencies of Organic Molecules.
Das and Agrawal (2011), Raman Spectroscopy: Recent Advancements,
Techniques and Applications.
Dollish et  al. (1974), Characteristic Raman Frequencies of Organic
Compounds.
Grasselli and Bulkin (1991), Analytical Raman Spectroscopy.
Griffiths and de Haseth (2007), Fourier Transform Infrared Spectrometry.
Harmony (1972), Introduction to Molecular Energies and Spectra.
Herzberg (1945), Infrared and Raman Spectra.
Hendra et al. (1991), Fourier-Transform Raman Spectroscopy—Instru-
mentation and Applications.
Huber and Herzberg (1979), Constants of Diatomic Molecules.
Kohlrausch (1931), Der Smekal-Raman-Effekt.
Kohlrausch (1938), Der Smekal-Raman-Effekt—Ergänzungsband.
Kohlrausch (1943), Ramanspektren.
Kuzmany (2009), Solid-State Spectroscopy.
Long (2002), The Raman Effect. A unified Treatment of the Theory of
Raman Scattering by Molecules.
Schrader (1989), Raman/Infrared Atlas of Organic Compounds.
Schrader (1995), Infrared and Raman Spectroscopy: Methods and
Applications.
Socrates (2001), Infrared and Raman Characteristic Group Frequencies.
Träger (2007), Springer Handbook of Lasers and Optics.
Vandenabeele (2013), Practical Raman Spectroscopy—An Introduction.
Varsanyi (1969), Vibrational Spectra of Benzene Derivatives.
Woodward (1972). Introduction to the Theory of Molecular Vibrations
and Vibrational Spectroscopy.
Wilson et al. (1955), Molecular Vibrations.

Raman Libraries

A few libraries of Raman spectra are available, some free, but most of
them have to be bought or paid per spectrum (descriptions taken from the
website of the companies). Some of the libraries (but not all) are described
below.

1. Aldrich Raman Condensed Phase Library

This library represents a comprehensive collection of 14,033 Fourier
transform (FT)-Raman spectra. It contains many common chemicals
found in the Aldrich Handbook of Fine Chemicals.
4  •   RAMAN SPECTROSCOPY, VOLUME I

https://assets.thermofisher.com/TFS-Assets/CAD/Specification-
Sheets/D02332~.pdf
2. FT-Raman Forensic Library
This library is designed to assist forensic scientists and investiga-
tors in fast and easy identification of common street drugs. It con-
tains a collection of 175 common drugs and related compounds
frequently encountered in forensic analysis. It contains spectra of
controlled substances, common contaminants, and “cutting” agents.
The Raman technique provides a unique benefit in forensic science
because sample analysis can be completed directly through plastic
bags and glass containers.
http://www.thermo.com.cn/Resources/200802/productPDF_
2080.pdf
3. Cayman Chemical Raman Library
This library, containing 187 spectra, includes synthetic cannabi-
noids, synthetic cathinones, synthetic piperazines, and tryptamines,
which are the basis for newer drugs of abuse such as spice, bath
salts, legal ecstasy, and novel psychoactive drugs.
http://www.thermofisher.com/order/catalog/product/834-105000
4. National Institute of Advanced Industrial Science and Technol-
ogy (AIST) Spectral Database for Organic Compounds (SDBS)
A total of 3,573 Raman spectra of organic compounds are available.
http://sdbs.db.aist.go.jp/sdbs/cgi-bin/cre_index.cgi
5. FT-Raman Spectra of a Variety of Organic and Inorganic Com-
pounds, Bruker/Merck
A total of 3661 FT-Raman spectra of organic compounds and 353
FT-Raman spectra of inorganic compounds are available in this
Bruker/Merck collection (Product Note S14-09/09).
https://www.bruker.com
6. Know It All Raman Spectral Library
Bio-Rad produced high-quality Raman spectral databases with
their renowned Sadtler databases. The KnowItAll Raman Spectral
Library offers access to over 24,000 Raman spectra.
http://www.bio-rad.com/de-de/product/raman-spectral-databases?
ID=N0ZXPS4VY
7. FDM
FDM publishes FTIR, attenuated total reflection/FTIR and Raman
libraries. Separate Raman libraries can be obtained for polymers,
retail adhesives and sealants, plastic, organics, and inorganics. To-
gether the Raman libraries contain 3,050 spectra measured with
780 nm excitation and a spectral range of 3,417–200 cm–1.
http://www.fdmspectra.com
 Introduction  •   5

8. S.T. Japan-USA
New Raman spectra are continuously added to the Raman Spectral
Libraries. The complete collection contains 14,213 Raman spectra.
The samples were measured with an excitation laser wavelength of
1064, 785, 532, or 488 nm and covering a spectral range from 4,000
to 200 cm–1.
http://www.stjapan-usa.com
The websites mentioned have been last accessed in June 2018. We
cannot take responsibility for the content of the websites whose
links are refered to in this book.
 Author Index

A Berlizov, A., 37
Abramczyk, H., 59, 96 Bernath, B., 35
Agrawal, Y.K., 3 Blumenfeld, S.M., 54
Ahlrichs, R., 84 Bogomolov, A.M., 94, 95, 97,
Al-Omary, F., 114 100–103
Al-Saadi, A.A., 114 Bougeard, D., 110
An, N.T.T., 117 Braden, D.A., 104
Anderson, L.R., 63 Brandan, S.A., 74
Angell, C.L., 72 Brandmüller, J., 84
Anitha, R., 98 Brandt, H.D., 107
Annamalai, A., 57 Brennecke, S., 87–90
Applin, D., 110 Brittain, E.F.H., 2
Aracena, A., 96, 98 Brozek-Pluska, B., 59, 96
Arenas, J.F., 116 Bulayev, Y., 31
Arivazhagan, M., 90 Bulkin, B.J., 3
Arjunan, V., 98 Burikov, S.A., 60, 62
Asher, S.A., 28 Burneau, A., 71
Atkins, P.W., 2 Bush, S.F., 74, 83
Buzykin, B.I., 83
B
Baglin, F.G., 74 C
Bailey, G.F., 71 Caldow, G.L., 86
Bailey, R.T., 108 Califano, S., 2, 94
Balabin, R.M., 45, 46 Campos-Vallette, M., 96, 98
Baraban, J.H., 63 Catalan, C.A.N., 74
Baranska, M., 70, 71 Celis, F., 96, 98
Barone, V., 14 Chain, F., 74
Barrow, G.M., 112 Chalmers, J.M., 2, 30
Bassi, D., 51 Changala, P.B., 63
Becke, A.D., 14 Chase, B., 28, 30
Becucci, M., 94 Cheeseman, J.R., 14
Bell, S., 58, 59 Chen, G.Q., 60
Bender, J.S., 94 Chiş, V., 117
Bentley, F.F., 2, 3, 45, 48, 53, Christe, K.O., 63
61, 65–68, 75, 77, 93, 95, Cinar, M., 116
103, 110 Clark, R.J.H., 48, 49
142  •   Author Index

Cleveland, F.F., 48, 49, 51, 59 Durocher, G., 96, 105–107

Clippard, P.H., 74 Dzsaber, S., 35
Cloutis, E., 110
Coasne, B., 94 E
Colthup, N.B., 2, 3, 60, 116 Edsall, J.T., 78
Corliss, C.H., 24 Efitorov, A.O., 60, 62
Cornard, J., 116 El-Emam, A.A., 114
Cotton, F.A., 15 Ellestad, O.H., 49
Cramer, C.J., 14 Elsabban, M.Z., 86, 87
Crawford, M.F., 58 Escribano, R., 49
Cross, P.C., 3 Evans, J.C., 96, 102–104, 106, 107
Crowder, G.A., 58
Czamara, K., 70, 71 F
Fabian, G., 35
D Fabrian, J., 82
Dadieu, A., 82, 85 Fanghänel, T., 37
Daimay, L.V., 3, 60 Fassel, V.A., 86
Daly, L.H., 2 Fast, H., 58
Dao, D.Q., 117 Fateley, W.G., 3, 45, 48, 53, 60, 61,
Darvish, F., 45, 47 65–68, 75, 77, 93, 95, 103, 110
Das, A., 67 Feher, F., 87, 89
Das, R.S., 3 Feher, T., 35
Datta, S., 67 Feldman, T., 54, 58
Daveri, A., 36 Feng, Z.C., 74
de Haseth, J.A., 3 Fenlon, P.F., 48
Decius, J.C., 3 Finke, H.L., 86
Della Védova, C.O., 87 Fleming, G.D., 96, 98
Dellepiane, G., 74 Fliegl, H., 84
Denson, S.C., 31 Forneris, R., 50
Denton, M.B., 31 Fortuna, M.A., 74
Devi, L., 98 Fourkas, F.T., 94
Devi, T.G., 67 Fox, W.B., 63
Dolenko, S.A., 60, 62 Friedrich, A., 35
Dolenko, T.A., 60, 62 Frisch, M.J., 14
Dollish, F.R., 3, 45, 48, 53, 61, 65– Fruwert, J., 80
68, 75, 77, 93, 95, 103, 110 Fuhrer, H., 62
Dong, K., 64 Fujino, T., 104
Dong, Z.H., 115
Dowling, J.M., 57 G
Du, X.Y., 60 Gabrieli, F., 36
Dube, N., 116 Gao, S.Q., 112
Duncan, J.L., 48, 49 Gardiner, G.A., D.J., 63
Durig, J.R., 51, 58, 59, 67, 74, Gayathri, R., 90
111, 113 Geiseler, G., 80
 Author Index  •   143

Genin, F., 71 Hermann, A., 87

George, W.O., 2 Herschel, W., 1
Ghassemi, A., 31 Herzberg, G., 3
Gocen, T., 71 Herzfeld, N., 91
Golsio, I., 96, 98 Herzog, K., 87
Goltz, D., 110 Hibben, J.H., 86
Gomez, M.F., 115 Hidalgo, A., 85
Gonzalez, J.J.L., 60, 115 Hirschfeld, T., 28
Goubeau, J., 112 Hirschmann, R.P., 86
Gough, K.M., 54, 94, 109 Ho, D.M.L., 37
Goushcha, A., 29 Hoffmann, G.G., 14, 33, 34,
Govindammal, M., 116 44, 58, 64, 67, 69, 72, 81,
Govindarajan, M., 77, 96, 102 83, 97, 99, 107, 108, 113,
Grasselli, J.G., 3, 60 115, 118
Gredy, B., 58 Hori, A., 48
Green, J.H.S., 51, 87, 97, 100, 101 Horvat, R.J., 71
Green, W.H., 51, 67, 114 Horvath, G., 105
Greenhouse, J.A., 114 Hosoi, H., 104
Gremlich, H.-U., 53, 66, 67, 73, Hossenlopp, I.A., 86
77, 79, 84 Hsu, C.S., 86
Griffiths, P.R., 2, 3, 30 Hu, N.Y., 60
Groner, P., 58, 59 Huber, K.P., 3
Gu, J., 60 Hudson, B.S., 104
Guirgis, G.A., 58, 59, 67 Huy, B.T., 117
Günzler, H., 53, 66, 67, 73, 77, Hyams, I.J., 108
79, 84
Gyure, B., 35 I
Ikeda, N., 11
H Imre, L., 105
Hacker, H., 84 Ingold, C.K., 91
Hacker, H.H., 84 Ise, N., 71
HalukGuven, M., 71 Iseri, E.C., 94
Hamaguchi, H.O., 104 Isogai, Y., 95
Haman Bayarı, S., 71 Ito, M., 108, 110
Haress, N.G., 114 Ito, T., 72
Hargittai, I., 87
Harmony, M.D., 3 J
Harris, W.C., 83 Jackowicz, M., 59, 96
Harrison, D.J., 51, 87 Jalili, S.A., 45, 47
Harvey, A.B., 111, 114 Janowska, G., 59, 96
Hatazawa, J., 29 Jele, F., 82
Hättig, C., 84 Jensen, J.O., 85
Haurie, M., 68 Jeon, I., 87
Hendra, P., 3 Jesson, J.P., 85
144  •   Author Index

Jia, G.Q., 74 Kuzmany, H., 3

Jones, C.G.W., 35 Kynaston, W., 87
Jones, R.N., 72
Joshua, B.D., 116 L
Laane, J., 111
Laidlaw, W.G., 62
K Lampe, F., 112
Kaczor, A., 70, 71 Lancaster, J.E., 116
Kahovec, L., 86 Landsberg, G.S., 7
Kalaichelvan, S., 116 Lawrence, N.J., 63
Kallos, G.J., 59 Leadbeater, R., 63
Karabacak, M., 101, 116 Lebas, J.-M., 82
Karamanis, P., 79 Lecomte, J., 80, 82
Kato, K., 29 Lee, C., 14
Keiderling, T.A., 57 Lee, J.S., 29
Kellerer, B., 84 Legrand, M., 82
Kessler, H., 80 Lemoff, B.E., 28
Kiefer, J., 31 Leopold, N., 117
Kipkemboi, P.K., 60 Leszczynski, J., 79
Kiprono, P.C., 60 Leyton, P., 74
Kitaev, Y.P., 83 Li, C., 74
Kitano, H., 71 Li, G.N., 74
Klaboe, P., 85 Li, X.C., 60
Klots, T.D., 99 Li, Y., 60
Kniseley, R.N., 86 Li, Z.W., 112
Ko, G.B., 29 Lieb, M., 87
Koch, R., 96, 98 Lieber, E., 86
Kochan, K., 70, 71 Lin, J.C., 64
Kohlrausch, K.W.F., 3, 7, 72, 82, Lin, K., 60
86, 111, 112 Lippert, E., 111
Köhn, A., 84 Lippincott, E.R., 108
Kohn, W., 14 Liu, H.B., 60
Köppl, F., 72 Liu, J.Y., 112
Kovacs, A., 87 Liu, S.L., 60
Krafft, C., 87–90 Liu, Z.X., 115
Kramberger, C., 35 Long, D.A., 3, 13, 60
Krammer, G.E., 87–90 Lord, R.C., 57
Kriegsmann, H., 89 Love, G.R., 58
Krishnakumar, V., 108 Lupinetti, C., 54, 94, 109
Krishnan, K.S., 7 Luther, H., 112
Krueger, P.J., 62 Lüttke, W., 84
Kruse, W., 87, 89 Lüttringhaus, A., 72
Kuberski, S., 59, 96
Kübler, R., 84 M
Kumar, K., 67 Ma, X.X., 60
Kurt, M., 116 Mack, H.G., 87
 Author Index  •   145

Mahadevan, D., 101 Nhung Tran, H., 117

Maiman, T.H., 24 Nicholl, A., 37
Majzner, K., 70, 71 Nicol, M., 60
Mammone, J.F., 60 Nielsen, J.R., 80
Mandelstam, L.I., 7 Nomoto, T., 104
Manogaran, S., 71 Nomura, T., 11
Marcos, J.I., 116 Novak, A., 68
Mariam, S., 60 Nyquist, R.A., 59, 110
Marshall, P., 50
Mary, Y.S., 114 O
Mashiko, Y., 63 Oberhammer, H., 87
Mathammal, R., 108 Ocampo, J., 57
Mathieu, J.P., 80, 82 Oelichmann, B., 33
Matterson, A.H.S., 60 Ohgaki, K., 48, 49
Mayer, K., 37 Ohkubo, M., 11
Mayer, R., 87 Ohmura, R., 48
Mccullough, J.P., 86 Ohno, K., 95
Mckean, D.C., 48, 49 Ojha, J.K., 103, 104, 106
Mdluli, P.S., 79 Oltean, M., 117
Mecke, R., 72 Onomichi, M., 48, 49
Meganathan, C., 116 Otero, J.C., 116
Meister, A.G., 48, 49, 51, 57 Ott, F., 87–90
Melveger, A.J., 63 Otvos, J.W., 78
Mennucci, B., 14 Ouillon, R., 94
Menzebach, H.U., 33 Ouyang, S.L., 112
Merrick, J.P., 14 Özdemir, H., 94
Messerly, J.F., 86
Mikhonin, A.V., 28
Miller, G.P., 87 P
Miller, S.I., 57 Pacia, M.Z., 70, 71
Mircescu, N.E., 117 Paipa, C., 74
Miyazawa, T., 75 Palma, F.E., 49
Mizushima, S.I., 75 Pan, C.Y., 80
Mohan, S., 77, 98, 102, 109 Panicker, C.Y., 114
Moran, D., 14 Parr, R.G., 14
Moreno, J.R.A., 60 Patsaeva, S.V., 60, 62
Morrissey, A.C., 111 Pennington, R.E., 86
Muelder, W.W., 104 Periandy, S., 77, 96, 101, 102, 109
Murray, M.J., 59 Perrier-Datin, A., 82
Petersson, G.A., 14
Pichler, T., 35
N Pigorsch, E., 87–90
Naik, J.L., 116 Pinan, J.P., 94
Nam, P.C., 117 Piotrowski, E.A., 49
Narayanan, U., 57 Placzek, G., 13
Negyedi, M., 35 Plastinin, I.V., 60, 62
146  •   Author Index

Poirier, P., 82 S
Pommier, C.J.S., 31 Sabathy, R., 85
Pongratz, A., 72 Sakhaee, N., 45, 47
Poole, H.G., 91 Sali, D., 36
Prabavathi, N., 116 Salzer, R., 87–90
Prabhu, T., 109 Sanga, J.J., 60
Prasad, R., 116 Sasaki, S., 42, 48, 49
Prasath, M., 116 Sathya, B., 116
Prigge, H., 111 Scalmani, G., 14
Puranik, P.G., 57 Schawartz, J., 105
Scheithauer, S., 87
Scherer, J.R., 96, 102–104,
Q
106, 107
Qiu, S., 74
Schlegel, H.B., 14
Quiles, F., 71
Schrader, B., 3, 15, 31, 33, 34,
78, 110
R Schrötter, H.W., 84
Rabinovich, D., 1 Schwartz, M., 50
Radom, L., 14 Scott, D.W., 86, 87
Ramachandran, J., 86 Scuseria, G.E., 14
Ramalingam, S., 77, 101, 102 Searles, S., 112
Raman, C.V., 7 Sham, L.J., 14
Ramana Rao, G., Sharma, S.K., 60
103, 104, 106 Sheinker, Y.N., 86
Rank, D.H., 50 Shen, S.Y., 67
Ranson, P., 94 Shepherd, G.G., 58
Rao, C.N.R., 86 Sheppard, N., 89
Rao, Z.F., 64 Shigorin, D.N., 82
Ratcliffe, C.T., 63 Shimanouchi, T., 49, 75
Reader, J., 24 Shimizu, H., 42, 48, 49
Reddy, B.V., 116 Simon, F., 35
Reddy, S.P., 54 Skrabal, R., 85
Reder, T.L., 59 Smekal, A., 7
Redlich, O., 50 Smith, D.C., 80
Reitz, A.W., 85, 111, 112 Smith, R.J.D., 72
Revaprasadu, N., 79 Smithson, L.D., 2
Rippon, D.M., 48, 49, 51 Snatzke, G., 34
Robb, M.A., 14 Socrates, G., 3
Rodewald, B.W., 112 Sohar, P., 105
Romanko, J., 54 Song, X.S., 60
Romano, E., 74 Song, Y., 115
Rosmus, P., 87 Sosibo, N.M., 79
Rosser, S.E., 51 Soti, F., 105
Rozek, A.L., 2 Speirs, G.K., 48, 49
Rud Nielsen, J., 107 Spiekermann, M., 110
 Author Index  •   147

Srinivas, G.N., 50 V
Stamm, R.F., 116 Vagnini, M., 36
Stammreich, H., 50, 51 Van Alsenoy, C., 114
Stanton, J.F., 63 Vandenabeele, P., 3
Stec, F.F., 59 Varsanyi, G., 105
Steele, D., 105, 106, 107 Varsányi, G., 3
Steger, E., 87 Venkateswarlu, K., 60
Steudel, R., 90 Venkatram Reddy, B., 103,
Stewart, J.E., 78 104, 106
Stricks, W., 50 Vera, L., 96, 98
Sugahara, K., 48, 49 Verma, S.P., 68, 71
Sugahara, T., 48, 49 Vinod, K.S., 96
Sundaraganesan, N., 116
Sundaram, S., 49 W
Suzuki, I., 49, 75 Waddington, G., 86
Suzuki, M., 108, 110 Wagner, J., 48, 49
Syrkin, Y.K., 82, 86 Waliszewska, G., 59, 96
Szasz, G., 87 Wallach, D.F.H., 68, 71
Szymanski, P., 110 Wang, H., 60
War, J.A., 114
Watabe, H., 29
T
Weber, B., 87–90
Tabbert, B., 29
Weckherlin, S., 84
Tahara, T., 104
Wells, C.H.J., 2
Tanaka, N., 71
Welsh, H.L., 54, 58
Tarakeshwar, P., 71
Whiffen, D.H., 106, 107
Tavares, Y., 51
Wiberley, S.E., 2
Taylor, R.C., 74
Wieser, H., 62
Thomas, N.C., 1
Willis, J.N., 51, 113
Thomas, T.R., 58
Wilson, E.B., 3
Thompson, H.W., 85, 86
Wittek, H., 82
Tocon, I.L., 116
Wood, R.W., 50
Torres, E.M., 115
Woodward, L.A., 3, 60
Träger, F., 3
Wu, N.N., 112
Traikov, K., 115
Wu, Y.H., 42, 48, 49
Troepol’skaya, T.V., 83
Trucks, G.W., 14
X
Turner, J.J., 63
Xie, S.T., 115
Tuschel, D., 28
Tuschel, D.D., 28
Y
Yamaguchi, T., 11
U Yamakita, Y., 95
Uchida, T., 48 Yamamoto, S., 29
Ulic, S.E., 87 Yang, H.F., 98
Urena, F.P., 60, 115 Yang, X.Y., 64
148  •   Author Index

Yokoyama, T., 108, 110 Zhang, C., 60

Yoshida, M., 48, 49 Zhang, P.X., 64
Young W, W., 14 Zhang, X.H., 60
Yu, Y.Q., 60 Zheng, C., 58, 59, 67
Yurtseven, H., 94 Zhou, J., 74
Yuzhakov, V.I., 60, 62 Zhou, X.G., 60
Zhu, C.H., 60
Z Zhuravlev, K.K., 115
Zarzycki, R., 59, 96 Zietlow, J.P., 49, 51
Zerbi, G., 74 Zou, Q., 60
 Compound Index

A rhodanides, 85–86
Acetamide, 75 oxygen-containing
Acetamidines, 82 acetals, 62–63
Acetone oxime, 83 alcohols, 59–62
Acetonitrile, 85 aldehydes, 64–67
Acrylonitriles, 84 carboxylic acids, 67–71
Acyclic aliphatic compounds, cyclic anhydrides, 72
42–43 esters, 72
Adamantan-1-yl-5-(4-nitrophenyl)- ethers, 62
1,3,4-oxadiazole, 2-, 114 ketones, 64–67
Aliphatic carbon compounds lactones, 72–74
alkanes, 41–45 peroxides, 63–64
alkenes, 54–58 sulfur-containing
alkines, 58–59 disulfides, 87–89
cycloalkanes, 45–46 polysulfides, 89
haloalkanes, 46–53 sulfides/thiaalkanes, 86–87
Aliphatic compounds sulfonyl compounds,
nitrogen-containing 90–91
amides, 75–78 thiocarboxylic acids, 89
amidines, 82–83 thiols, 86
amines, 74–75 thionyl compounds, 89–90
azides, 86 Alkanes, 41–45
azines, 83–84 acyclic aliphatic compounds,
azo compounds, 84 42–43
cyanides, 85 Alkenes, 54–58
hydrazones, 83 allenes, 57–58
imines, 82 disubstituted, 54–55
lactams, 79–80 monosubstituted, 54–55
nitrates, 82 1,1-dialkyl, 56
nitriles, 85 1,2-cis-dialkyl-substituted, 56
nitrites, 82 1,2-trans-dialkyl-substituted, 57
nitroalkanes, 80–82 tetraalkylsubstituted, 57
oximes, 83 trialkylsubstituted, 57
150  •   COMPOUND INDEX
Allenes, 57–58
Aminonitriles, 84
Anthracene, 109
Arachidic acid, 70
Azathioprine, 116
B Cyclopentane, 45, 47, 112
Benzene, 91
Benzene derivatives
anthracenes, 109–110
aromatic halogen compounds,
94–95
disubstituted, 96–102
hexasubstituted, 107–108
monosubstituted, 95–96
naphthalenes, 108–109
pentasubstituted, 106–107
phenanthrenes, 109–110
tetrasubstituted, 104–106
trisubstituted, 102–104
vibrational modes of, 91–93
Benzene sulfonamide, 96
Benzofuran-1(3H)-one, iso, 74
Benzonitrile, 84, 96
Boron trifluoride, 19
Bromo-1-phenylpropyne-1, 3-, 59
Bromo-3-fluorobenzene, 1-, 101
Butane, n-, 45
Butanol, t-, 60
Butyl amine, n-, 75
Butyl bromide, t-, 51, 52
Butyne, 1-, 58
Butyne, 3-methyl-1-, 58
C 4-N,N’-, 116
Carbon tetrachloride, 2, 12, 14, 29
Carboxylic acids, 67
Chloro-1-phenylbutyne-1, 4-, 59
Chloro-1-phenylpentyne-1, 5-, 59
Chloro-1-phenylpropyne-1, 3-, 59
Chlorocyclobutanone, 2-, 67
Chlorocyclobutanone, 60
Chloronicotinic acid, 2-, 116
Chloronicotinic acid, 6-, 116
Citric acid, 71
Cnicin, 74
Cyanides, 84, 85
Cyano propane, 85
Cycloalkanes, 45–46
Cyclohexane, 45, 47
Cyclohexene, 56
Cyclopropene, 54
D
Dialkyl alkenes, 1,1-, 56
Dialkyl-substituted alkenes,
1,2-cis-, 56
Dialkyl-substituted alkenes,
1,2-trans-, 57
Dibromo-2,4,5,6-
tetrafluorobenzene,
1,3-, 108
Dichloromethane, 49, 50
Dichloropropane, 2,2-, 51
Diethyl-1,2,4,5-tetrathiane,
3,6-, 89
Diethyldisulfide, 87
Diethylether, 62
Diisopropyltrisulfide, 90
Dimethyl-1,2,3,5-tetrathiane,
4,6-, 89
Dimethyl-1,2,4,5-tetrathiane,
3,6-, 89
Dimethyl-1,3,4-trithiolane,
2,5-, 89
Dimethyl-2-thiabutane, 3,3-, 86
Dimethyl sulfoxide, 90
Dimethylamino pyridine,
Dimethylbutane, 2,2-, 60
Dimethyldisulfide, 87
Dimethylnaphthalene, 2,3-, 109
Dimethylsulfide, 86
Dinitrobenzene, 1,2-, 101
Diphenylketimine, 82
Dipropyldisulfide, 87
Dithiabutane, 2,3-, 87
Dithiahexane, 3,4-, 87
Dithiapentane, 2,3-, 87

E M
Ethanol, 60
Ethyl acetate, 72
Ethyl amine, 75
Ethyl rhodanide, 86
Ethylene, 54
Ethylene oxide, 110
Ethylene sulfide, 110
F Methyl-1-butyne, 3-, 58
Fluoro-3-nitrobenzene, 1-, 101
Fluorobenzene, 1,2,3,4,5-penta,
108
Fluorobenzene, penta, 106
Fluorocyclobutane, 51
Fluoromethane, 48
Fluorotrichloromethane, 50
Formamidines, 82
G Naphthalene, 2,3-dimethyl, 109
Germylcyclopentane, 113–114
Glucono-delta-lactone, D-, 74
H
Haloalkanes, 46–53
Heptane, n-, 43
Heterocycles
five-membered rings, 112–115
four-membered rings, 111
six-membered rings, 115–118
three-membered rings, 110
Hexachlorobenzene, 107
Hexafluorobenzene, 107
Hexathiaadamantane, 10-, 87
Hexyl amine, n-, 75
Hydrazones, 83
Hydrogen peroxide, 63
I Perfluorodimethyl
Indene, 99
Indium antimonide, 30
Isobenzofuran, 74
Isonitriles, 84
Isopropyl amine, 75
Isothiocyanates, 86
Compound Index  •   151
Melamine, 117
Menthol, (1R,2S,5R)-(-)-, 60
Meta-disubstituted benzenes, 100
Methanal azine, 83
Methane, 19
Methoxybenzonitrile, m-, 96, 98
Methoxybenzonitrile, o–, 96, 98
Methoxybenzonitrile, p-, 96, 98
Methyl-2-pyrrolidinone, N-, 79
Methyl-2-thiabutane, 3-, 86
Methyl amine, 75
Methyl fluoride, 49
Methyl rhodanide, 86
Methylbenzene, penta, 106
N
Naphthalene, 108
Nitrileoxides, 84
Nitromethane, 80
Nitrotoluene, 4-, 102
O
Ortho-disubstituted benzenes,
97–100
P
Para-disubstituted benzenes,
101–102
Pentachlorobenzene, 106
Pentafluorobenzene, 106
Pentafluorobromobenzene, 108
Pentafluorochlorobenzene, 108
Pentafluoroiodobenzene, 108
Pentamethylbenzene, 106
Pentane, n-, 45
trithiocarbonate, 87
Phenyl-2-propynol-1, 3-, 59
Phenyl-3-butynol-1, 4-, 59
Phenyl Δαβ-butenolide, β-, 74
Phenylacetylene, 59, 96
Propanethiol, 2-, 86
152  •   Compound Index
Phthalide, 74
Propionic acid, 67
Propionic aldehyde, 64
Propyl amine, n-, 75
Propyne-1, 3-bromo-1-phenyl, 59
Purine, 6-[1-methyl-4-nitro-
1H-imidazol-5-yl)
sulfonyl]-7H-, 116
Pyridine, 115–118
Pyridine carboxylic acids, 116
Pyrrolidine, 112–113
Pyrrolidinone, N-methyl-2-, 79
Pyrrolidone, 2-, 79
R Trideuterocyclobutanone, 67
Rhodanides, 84, 85
S Trifluorobenzene, 1,3,5, 19
Selenacyclopentane, 114
Silacyclobutane, 111
Silacyclopentane, 113
Succinic anhydride, 72
Sulfurous acid, 89
T Trisubstituted benzenes,
Tetraalkylsubstituted alkenes, 57
Tetrachlorobenzene, 1,2,4,5-, 105
Tetrachloroethylene, 57
Tetrafluorobenzenes, 105
Tetrahydrofuran, 112
Tetrahydroselenophene, 114
Tetrahydrothiophene, 113
Tetramethyl-3,4-dithiahexane,
2,2,5,5-, 87
Tetrasubstituted benzene,
1,2,3,4-, 105
Tetrasubstituted benzene,
1,2,3,5-, 105
Tetrasubstituted benzene, 1,2,4,5-,
105–106
Thiabutane, 2-, 86
Thiapentane, 3-, 86
Thiapropane, 2-, 86
Thioacetic acid, 89
Thiobenzoic acid, 89
Thionyl halide, 90
Thiophen, tetrahydro-, 113
Toluene, 95
Trialkylsubstituted alkenes, 57
Triazin, s-, 116
Triazine-2,4,6-triamine,
1,3,5-, 117
Trichlorobenzene sulfonyl
chloride, 2,4,5-, 90
Trifluoro-2,4,6-trichlorobenzen,
1,3,5-, 107
Trimethylbenzene, 1,2,4-, 103
Trimethylbenzene, 1,3,5-, 104
Trimethylene selenide, 111
Trimethylene selenide-D4, 111
Tris(phenylethynyl)benzene,
1,3,5-, 104
1,2,3-, 102
Trisubstituted benzenes, 1,2,4-,
102–103
Trisubstituted benzenes, 1,3,5-,
103–104
U
Urea, 78
X
Xylene, m-, 100
Xylene, o-, 97
Xylene, p-, 101
 Formula Index

B CD4, 42
BrDC=CDBr, cis-, 57 (CF3)COOC(CF3), 63
BrDC=CDBr, trans-, 57 CF3OOCl, 63
BrHC=CHBr, cis-, 57 (CF3S)2C=S, 87
BrHC=CHBr, trans-, 57 CF4, 48
CF4 hydrate, 49
C CH2Br2, 51
C6Cl2D4, o-, 96 CH2BrI, 51
C6Cl2D4, p-, 96 CH2Cl2, 49
C6Cl2H4, m-, 96 CH2F2, 48
C6Cl2H4, o-, 96 CH2I2, 51
C6Cl2H4, p-, 96 (CH3)2C=N–OH, 83
C6Cl3D3, 1,2,3-, 102 CH3-SO2-NH2, 91
C6Cl3H3, 1,2,3-, 102 CH3CH=N–N=CHCH3, 83
C6Cl3H3, 1,2,4-, 103 CH3F, 48
C6Cl5H, 106 CH3I, 48
C6Cl6, 107 CH4, 42
C6F3Cl3, 107 CHBr3, 51
C6F3H3, sym-, 104 CHBrI2, 51
C6F5Br, 108 CHDCl2, 49
C6F5Cl, 108 CHF2Cl, 49
C6F5I, 108 CHF3, 49
C6F6, 104, 107 CHI3, 51
C6H4C2, p-, 102 CI4, 51
C6X3H3, 1,3,5-, 104 CO(NH2)2, 78
C8H6O2, 74 CS2, 60
CBr4, 51
CCl4, 12, 15, 19, 60 F
CD2Cl2, 49 F12CH3, 49
CD3I, 48 F13CH3, 49
154  •   Formula Index

H H2O2, 63
H12CCl3, 49 H−Cl, 19
H13CCl3, 49
H2N–CO–NH2, 77 S
H–C≡C–H, 19 SOCl2, 90
 Subject Index

A semiconductor, 30–31
Ab initio calculations, 13–15 silicon, 30
Abbe’s law, 1 Diode array detector, 29
Analyzer, 15 DXR 2 Raman microscope, 39
Anti-Stokes, 9–11
Array detectors, 31 E
Aspherical lens, 31 Edge filter, 28
Explosives, 28
B External cavity, 27
B&W Tek NanoRam, 38
Back-thinned CCD, 31 F
Boltzmann’s law, 9 Fiber optical probe, 33
Books and reviews, 2–3 Filters, 28
Bruker BRAVO, 37–38 First day cover, 1–2
Bruker MultiRAM, 35 FirstDefender RM, 37
Bruker Senterra II, 39 Fourier transform (FT)
spectrometer, 34
C Frequency scaling factor, 14
Charge-coupled device (CCD),
29–31 G
Classical theory, 11–13 Germanium detectors, 30
Cuvette
rectangular, 31–32 H
spherical, 31–32 Handheld Raman spectrometers,
Czerny-Turner monochromator, 28 36–38
B&W Tek NanoRam, 38
D BioTools, 38
Deformation vibrations, 43 Bruker, 37–38
DeltaNu/Intevac, 38 DeltaNu/Intevac, 38
Detector, 29–31 HORIBA, 38
diode array, 29 Metrohm Instant Raman
germanium, 30 Analyzers, 38
InGaAs, 30 Raman microscopes, 39
photomultiplier, 29 Thermo Scientific, 37
156  •   Subject Index

Holographic concave grating, 33 Raman spectrometers, for research,

HORIBA’s AnywhereRaman™, 38 35–36
Raman spectroscopy, 1–2
I detectors, 29–31
Improper axis, n-fold, 16 filters, 28
Infrared (IR) spectroscopy, 1 history of, 7
InGaAs detector, 30 instruments, types of, 33–34
Inversion center, 16 mono- and polychromators, 28
of organic compounds. See
K Compound Index
Kinetic energy, 11 sample arrangements, 31–33
sources of radiation, 23–28
L theoretical aspects of, 9–22
LASER, 24–28 RamTest-App, 38
Low-pass filter. See Edge filter Rayleigh scattering, 9
Rectangular cuvette, 31–32
M Rocking, 42
Mercury arc, 23–24 Ruby laser, 24, 26
Metrohm Instant Raman Analyzers
(MIRA), 38 S
Michelson interferometer, 34 Scissoring, 42
Mirror plane, 16 Semiconductor detectors, 30–31
Monochromatic light, 23 Silicon detectors, 30
Monochromator, Czerny-Turner, Spherical cuvette, 31–32
28 Stokes, 9–11
Morse potential, 10 Stretching, 42
Sunlight, 23
N Symmetry group, 15–16
Notch filter, 28
T
P Temperature measurement, 11
Peak quantum efficiency, 31 Thermo Scientific, 37
Photographic plate, 29 TruScan RM, 37
Photomultiplier, 29 Twisting, 42
Placzek’s theory, 13
Plasma lines, 28 V
Polarization ratio, 15 Vibrational spectroscopy, 1
Polarized light, 15
Principal component analysis, 60 W
Proper axis, n-fold, 16 Wagging, 42

R
Raman libraries, 3–5
Raman microscopes, 39
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