Contents

Preface to the 1st edition ix Preface xi Acknowledgements xiii Disclaimer xiv Guide to use xv VOLUME 1

Contributors to Volume 1 xvii Table of contents xxi Subject Classification Index xxxiii

A Accelerator Mass Spectrometry (AMS) John F Wacker, Gregory C Eiden, Scott A Lehn, David W Koppenaal 1 Analytical Methodology Standards for Metabolomics Julian L Griffin, Denis V Rubtsov 4 Applications of Circular Dichroism Giuliano Siligardi, Rohanah Hussain 9 Applications of Single Photon Imaging Anna Celler 15 Art Works Studied Using IR and Raman Howell G M Edwards 23 Atmospheric Pressure Ionization in Mass Spectrometry WMA Niessen 39 Atomic Absorption, Methods and Instrumentation Steve J Hill, Andy S Fisher 46 Atomic Absorption, Theory Albert Kh Gilmutdinov 54 Atomic Emission and Fluorescence Theory James A Holcombe, Paul B Farnsworth 63 Atomic Emission, Methods and Instrumentation Sandra L Bonchin, Grace K Zoorob, Joseph A Caruso 70 Atomic Fluorescence, Methods and Instrumentation Steve J Hill, Andy S Fisher 78 Atomic Spectroscopy, Forensic Science Applications Douglas C Duckworth 84 Atomic Spectroscopy, Historical Perspective CL Chakrabarti 91 ATR and Reflectance IR Spectroscopy, Applications UP Fringeli 94

B Biochemical Applications of Fluorescence Spectroscopy Jason B Shear 111 Biochemical Applications of Peter Hildebrandt, Sophie Lecomte 118 Biofluids Studied by NMR Spectroscopy John C Lindon 128 Biological Applications of IR Arthur MA Pistorius, Willem J DeGrip 142

xxi xxii Contents

Biomacromolecular Applications of Circular Dichroism and ORD Norma J Greenfield 153 Biomacromolecular Applications of UV-Visible Absorption Spectroscopy Alison Rodger, Karen Sanders 166 Biomedical Applications of Atomic Spectroscopy Andrew Taylor 174 Biometallics/Metallomics Techniques and Applications David W Koppenaal 183 Biomolecular X-Ray Crystallography, Structure Determination Methods Miroslav Z Papiz, Graeme Winter 185

C Calibration and Reference Systems (Regulatory Authorities) Christopher Burgess 195 Carbohydrates Studied by NMR Charles T Weller 204 Cells Studied by NMR Fa´tima Cruz, Sebastia´n Cerda´n 212 Chemical Applications of EPR Christopher C Rowlands, Damien M Murphy 221 Chemical Exchange Effects in NMR Alex D Bain 229 Chemical Ionization in Mass Spectrometry Alex G Harrison 238 Chemical Reactions Studied by Electronic Spectroscopy Salman R Salman 246 Chemical Shift and Relaxation Reagents in NMR Silvio Aime, Mauro Botta, Mauro Fasano, Enzo Terreno 253 Chiroptical Spectroscopy, Emission Theory James P Riehl 262 Chiroptical Spectroscopy, General Theory Hans-Georg Kuball, Tatiana Ho¨ fer, Stefan Kiesewalter 268 Chiroptical Spectroscopy, Oriented and Anisotropic Systems Hans-Georg Kuball, Tatiana Ho¨ fer 284 Chromatography-IR, Applications George Jalsovszky 298 Chromatography-IR, Methods and Instrumentation Robert L White 304 Chromatography-MS, Methods WWA Niessen 309 CIDNP Applications Tatyana V Leshina, Alexander I Kruppa, Marc B Taraban 317 Circular Dichroism Spectrometers George E Tranter 325 Circularly Polarized Luminescence and Fluorescence Detected Circular Dichroism Christine L Maupin, James P Riehl 337 Cluster Ions Measured Using Mass Spectrometry O Echt, TD Ma¨rk 345 13C NMR, Methods Cecil Dybowski, Alicia Glatfelter, HN Cheng 355 13C NMR, Parameter Survey R Duncan Farrant, John C Lindon 365 Colorimetry, Methods Arthur D Broadbent 372 Colorimetry, Theory Alison Gilchrist, Jim Nobbs 380 Computational Methods and Chemometrics in Near Infrared Spectroscopy Paul Geladi, Eigil Da˚bakk 386 Computer Methods in Mass Spectrometry for Chemical Structure Assignment Kurt Varmuza 392 Contrast Mechanisms in MRI IR Young 404 Cosmochemical Applications Using Mass Spectrometry JR De Laeter 414 Contents xxiii

D Diffusion Studied Using NMR Spectroscopy Peter Stilbs 423 Drug Metabolism Studied Using NMR Spectroscopy Myriam Malet-Martino, Robert Martino 429 Dyes and Indicators, Applications of UV-Visible Absorption Spectroscopy Volker Buss, Lutz Eggers 442

E Electromagnetic Radiation David L Andrews 451 Electron Diffraction Applications Magdolna Hargittai, Istva´n Hargittai 456 Electron Diffraction Theory and Methods Istva´n Hargittai, Magdolna Hargittai 461 Electronic Components, Applications of Atomic Spectroscopy John C Lindon 466 Electrospray Ionization in Mass Spectrometry Keqi Tang, Jason S Page, Ryan T Kelly, Ioan Marginean 467 Ellipsometry GE Jellison Jr 475 Enantiomeric Purity Studied Using NMR Thomas J Wenzel 484 Environmental and Agricultural Applications of Atomic Spectroscopy Michael Thompson, Michael H Ramsey 494 Environmental Applications of Electronic Spectroscopy John W Farley, William C Brumley, DeLyle Eastwood 502 EPR Imaging LH Sutcliffe 510 EPR, Methods Richard Cammack 518 EPR Spectroscopy, Theory Christopher C Rowlands, Damien M Murphy 531 Exciton Coupling Nina Berova, Nobuyuki Harada, Koji Nakanishi 542

F Far Infrared Spectroscopy Applications James R Durig 559 Fast Atom Bombardment Ionization in Mass Spectrometry Magda Claeys, Jan Claereboudt 566 Fibre Optic Probes in Optical Spectroscopy, Clinical Applications Urs Utzinger, Rebecca R Richards-Kortum 573 Fibres and Films Studied Using X-Ray Diffraction Watson Fuller, Arumugam Mahendrasingam 589 Field Ionization Kinetics in Mass Spectrometry Nico MM Nibbering 599 Flame and Temperature Measurement Using Vibrational Spectroscopy Kevin L McNesby 608 Fluorescence Microscopy, Applications Fred Rost 619 Fluorescence Polarization and Anisotropy GE Tranter 625 Fluorescence Theory Karen G Fleming 628 Fluorescent Molecular Probes F Braut-Boucher, M Aubery 635 19F NMR, Applications, Solution State Claudio Pettinari, Giovanni Rafaiani 645 Food and Dairy Products, Applications of Atomic Spectroscopy NJ Miller-Ihli, SA Baker 654 xxiv Contents

Food and Nutritional Science, Applications of Magnetic Resonance John P M van Duynhoven 663 Food Properties, Applications of NMR Brian Hills 671 Food Science, Applications of Mass Spectrometry John P G Wilkins 680 Forensic Science, Applications of IR Spectroscopy Nu´ ria Ferrer 681 Forensic Science, Applications of Mass Spectrometry Rodger L Foltz, David M Andrenyak, Dennis J Crouch 693 Forestry and Wood Products, Applications of Atomic Spectroscopy Cathy Hayes 699 Fourier Transformation and Sampling Theory Rau´ l Curbelo 709 Fourier-Transform Ion Cyclotron Resonance Mass Spectrometry (FT-ICR MS) Errol W Robinson 714 Fragmentation in Mass Spectrometry Hans-Friedrich Gru¨ tzmacher 720 FT-Raman Spectroscopy, Applications RH Brody, EA Carter, HGM Edwards, AM Pollard 732 Functional MRI (fMRI) Scott A Huettel 741

G Gas Phase Applications of NMR Spectroscopy Nancy S True 749 Geology and Mineralogy Applications of Atomic Spectroscopy Michael E Ketterer 757 Glow Discharge Mass Spectrometry C Derrick Quarles Jr, Joaudimir Castro, R Kenneth Marcus 762

H Halogen NMR Spectroscopy (Excluding 19F) Frank G Riddell 771 Heteronuclear NMR Applications (As, Sb, Bi) Claudio Pettinari, Fabio Marchetti, Giovanni Rafaiani 779 Heteronuclear NMR Applications (B, Al, Ga, In, Tl) Janusz Lewin´ski 785 Heteronuclear NMR Applications (Ge, Sn, Pb) Claudio Pettinari 798 Heteronuclear NMR Applications (La–Hg) Trevor G Appleton 812 Heteronuclear NMR Applications (O, S, Se, Te) Ioannis P Gerothanassis 816 Heteronuclear NMR Applications (Sc–Zn) Dieter Rehder 824 Heteronuclear NMR Applications (Y–Cd) Erkki Kolehmainen 834 High Energy Ion Beam Analysis Geoff W Grime 844 High Pressure Studies Using NMR Spectroscopy Jiri Jonas 854 High Resolution Electron Energy Loss Spectroscopy, Applications Horst Conrad, Martin E Kordesch 865 High Resolution Gas Phase IR Spectroscopy Applications E Cane`, A Trombetti 877 High Resolution Gas Phase IR Spectroscopy Instrumentation Jyrki K Kauppinen, Jari O Partanen 884 High Resolution Solid State NMR, 13C Etsuko Katoh, Isao Ando 894 High Resolution Solid State NMR, 1H, 19F Anne S Ulrich 905 High Temperature Chemistry Applications of Mass Spectrometry Lev N Sidorov 917 Contents xxv

1H MAS NMR Spectroscopy of Tissues Julian L Griffin, Reza M Salek 925 Hole-Burning Spectroscopy Jean Pierre Schermann 931 Hole-Burning Spectroscopy Methods Josef Friedrich 936 HPLC–NMR, Pharmaceutical Applications JP Shockcor 946 Hydrogen Bonding and Other Physicochemical Interactions Studied by IR and Raman Spectroscopy AS Gilbert 957 Hyperpolarization Methods and Applications in NMR Walter Ko¨ ckenberger, Jo¨ rg Matysik 963 Hyperpolarized Gases in NMR, Methods and Applications Martin H Deppe, Jim M Wild 971 Hyphenated NMR, Methods and Applications Jerzy W Jaroszewski 979 Hyphenated Techniques, Applications of in Mass Spectrometry WMA Niessen 984

VOLUME 2

Contributors to Volume 2 v Table of Contents ix

I ICPMS Applications Isaac (Joe) Brenner 991 Induced Circular Dichroism Kymberley Vickery, Bengt Norde´n 999 Inductively Coupled Plasma Mass Spectrometry, Methods Diane Beauchemin 1005 Industrial Applications of IR and Raman Spectroscopy AS Gilbert, RW Lancaster 1011 Inelastic Neutron Scattering, Applications Stewart F Parker 1024 Inelastic Neutron Scattering, Instrumentation Stewart F Parker 1035 Inorganic Chemistry Applications of UV-Visible Absorption and Circular Dichroism Spectroscopy George E Tranter 1045 Inorganic Compounds and Minerals Studied Using X-Ray Diffraction Gilberto Artioli 1048 Inorganic Condensed Matter, Applications of Luminescence Spectroscopy Keith Holliday 1057 Interstellar Molecules, Spectroscopy of AGGM Tielens 1067 In Vivo 1H MRS Applications Anke Henning 1077 In Vivo 1H MRS Methods Anke Henning 1085 In Vivo NMR, Applications, Other Nuclei Jimmy D Bell, E Louise Thomas, K Kumar Changani 1099 In Vivo NMR Methods, Overview of Techniques Norbert Schuff 1107 In Vivo NMR, Applications, 31P Ruth M Dixon, Peter Styles 1112 Ion Collision, Theory Anil K Shukla, Jean H Futrell 1118 Ion Dissociation Kinetics in Mass Spectrometry Bernard Leyh 1127 Ion Energetics in Mass Spectrometry John Holmes 1135 Ion Mobility Spectrometry (IMS) and Mass Spectrometry (MS) Alexandre A Shvartsburg 1140 Ion Reactions in Mass Spectrometry Diethard K Bo¨ hme 1149 xxvi Contents

Ion Structures in Mass Spectrometry Peter C Burgers, Johan K Terlouw 1155 Ion Trap Mass Spectrometers Raymond E March 1165 IR and Raman Spectroscopy of Inorganic, Coordination and Organometallic Compounds Claudio Pettinari, Carlo Santini 1174 IR Spectral Group Frequencies of Organic Compounds AS Gilbert 1187 IR Spectrometers Richard A Spragg, 1199 IR Spectroscopy Sample Preparation Methods RA Spragg 1210 IR Spectroscopy, Theory Derek Steele 1218 Isotope Ratio Studies Using Mass Spectrometry Michael E Wieser, Willi A Brand 1224 Isotopic Labelling in Mass Spectrometry Thomas Hellman Morton 1237

L Labelling Studies in Biochemistry Using NMR Timothy R Fennell, Susan CJ Sumner 1247 Laboratory Information Management Systems (LIMS) Antony J Williams 1255 Laser Ablation ICP-MS Joachim Koch, Detlef Gu¨ nther 1262 Laser Applications in Electronic Spectroscopy Wolfgang Demtro¨ der 1270 Laser Induced Breakdown Spectroscopy Diane M Wong, Alexander A Bol’shakov, Richard E Russo 1281 Laser Induced Optoacoustic Spectroscopy Thomas Gensch, Cristiano Viappiani, Silvia E Braslavsky 1288 Laser Magnetic Resonance AI Chichinin 1297 Laser Microprobe Mass Spectrometers Luc Van Vaeck, Freddy Adams 1305 Laser Spectroscopy Theory David L Andrews 1317 Ligand–Protein Binding and Screening Using NMR spectroscopy Bridget A Becker 1322 Light Sources and Optics R Magnusson 1330 Linear Dichroism, Applications Erik W Thulstrup, Jacek Waluk, Jens Spanget-Larsen 1340 Linear Dichroism, Instrumentation Erik W Thulstrup, Jens Spanget-Larsen, Jacek Waluk 1346 Liquid Crystals and Liquid Crystal Solutions Studied by NMR Lucia Calucci, Carlo Alberto Veracini 1349 Low Field NMR Methods and Applications Craig Eccles 1357 Luminescence, Theory Mohammad A Omary, Howard H Patterson 1372

M Macromolecule–Ligand Interactions Studied by NMR J Feeney 1393 Magnetic Circular Dichroism, Theory Laura A Andersson 1400 Magnetic Field Gradients in High Resolution NMR Ralph E Hurd 1407 Magnetic Force Microscopy Leon Abelmann 1415 Magnetic Particle Imaging Kevin R Minard 1426 Contents xxvii

Magnetic Resonance, Historical Perspective JW Emsley, J Feeney 1435 MALDI Techniques in Mass Spectrometry Imaging Ron MA Heeren 1443 Mass Spectrometry, Historical Perspective Allan Maccoll 1452 Mass Spectrometry, Ionization Theory C Lifshitz, TD Ma¨rk 1459 Materials Science Applications of X-Ray Diffraction A˚ ke Kvick 1470 Matrix Isolation Studies by IR and Raman Lester Andrews 1479 Medical Applications of Mass Spectrometry Orval A Mamer 1484 Medical Science Applications of IR Michael Jackson, Henry H Mantsch 1494 Membranes Studied by NMR Spectroscopy A Watts, SJ Opella 1503 Metabonomics in Food Science Ana M Gil 1513 Metastable Ions John L Holmes 1521 Microwave and Radiowave Spectroscopy, Applications G Wlodarczak 1527 Microwave Spectrometers Marlin D Harmony 1537 Modern Atmospheric Pressure Surface Sampling/Ionization Techniques in Mass Spectrometry Sofie P Pasilis, Gary J Van Berkel 1544 Molecular Reaction Dynamics Using Ion Imaging and Mass Spectrometry Albert JR Heck 1556 Mo¨ssbauer Spectrometers Guennadi N Belozerski 1564 Mo¨ssbauer Spectroscopy, Applications Guennadi N Belozerski 1573 Mo¨ssbauer Spectroscopy, Theory Guennadi N Belozerski 1584 MRI Applications, Biological David G Reid, Paul D Hockings, Paul GM Mullins 1593 MRI Applications, Clinical Martin O Leach 1604 MRI Applications, Clinical Flow Studies Y Bertheze`ne 1615 MRI Instrumentation Paul D Hockings, John F Hare, David G Reid 1622 MRI of Oil/Water in Rocks Genevie`ve Guillot 1630 MRI Theory Ian R Young 1638 MRI Using Stray Fields Edward W Randall 1646 MR Microscopy Walter Ko¨ ckenberger, Josef Granwehr 1654 MS Based Metabonomics Elizabeth J Want, Thomas O Metz 1663 MS–MS and MSn WMA Niessen 1675 Multiphoton Excitation in Mass Spectrometry Ulrich Boesl 1682 Multiphoton Spectroscopy, Applications Michael NR Ashfold, Colin M Western 1695 Multivariate Statistical Methods RL Somorjai 1704 Muon Spin Resonance Spectroscopy, Applications Ivan D Reid, Emil Roduner 1710

N n-Dimensional NMR Methods Peter L Rinaldi, Masud Monwar 1721 Near-IR Spectrometers R Anthony Shaw, Henry H Mantsch 1738 xxviii Contents

Negative Ion Mass Spectrometry, Methods Suresh Dua, John H Bowie 1748 Neutralization–Reionization in Mass Spectrometry Chrys Wesdemiotis 1756 Neutron Diffraction, Instrumentation AC Hannon 1766 Neutron Diffraction, Theory Alex C Hannon 1779 Nitrogen NMR GA Webb 1790 NMR Data Processing Gareth A Morris 1800 NMR in Anisotropic Systems, Theory J W Emsley 1809 NMR Microscopy Paul T Callaghan 1815 NMR of Solids Jacek Klinowski 1826 NMR Principles PJ Hore 1833 NMR Pulse Sequences William F Reynolds 1841 NMR Relaxation Rates Ronald Y Dong 1855 NMR Relaxometers Ralf-Oliver Seitter, Rainer Kimmich 1863 NMR Spectrometers John C Lindon 1872 NMR Spectroscopy of Alkali Metal Nuclei in Solution Frank G Riddell 1881 NMR Spectroscopy of Nucleic Acids, Historical Overview John C Lindon 1890 15N NMR Applications Radek Marek 1892 Nonlinear Optical Properties Georges H Wagnie`re, Stanisław Woz´niak 1899 Nonlinear Raman Spectroscopy, Applications W Kiefer 1913 Nonlinear Raman Spectroscopy, Instruments Peter C Chen 1927 Nonlinear Raman Spectroscopy, Theory J Santos Go´ mez 1935 Nuclear Overhauser Effect Anil Kumar, R Christy Rani Grace 1946 Nuclear Quadrupole Resonance, Applications Oleg Kh Poleshchuk, Jolanta N Latosin´ska 1956 Nuclear Quadrupole Resonance, Instruments Taras N Rudakov 1966 Nuclear Quadrupole Resonance, Theory Janez Seliger 1975 Nucleic Acids and Nucleotides Studied Using Mass Spectrometry Tracey A Simmons, Kari B Green-Church, Patrick A Limbach 1984 Nucleic Acids Studied by NMR Spectroscopy Michael Petersen 1992

O Optical Frequency Conversion Christos Flytzanis 2003 Optical Spectroscopy, Linear Polarization Theory Josef Michl 2013 ORD and Polarimetry Instruments Harry G Brittain 2024 Organic Applications of UV-Visible Absorption Spectroscopy Alison A Edwards, Bruce D Alexander 2030 Applications of Fluorescence Spectroscopy Stephen G Schulman, Qiao Qing Di, John Juchum 2040 Organometallics Studied Using Mass Spectrometry Dmitri V Zagorevskii 2047 Contents xxix

Overview of Biochemical Applications of Mass Spectrometry Victor E Vandell, Patrick A Limbach 2055 Overview of NMR-Based Metabonomics John C Lindon 2058

VOLUME 3

Contributors to Volume 3 v Table of Contents ix

P Parameters in NMR Spectroscopy, Theory of GA Webb 2069 Particle Light Scattering Methods and Applications Jonathan Moore, Eleonora Cerasoli 2077 Peptides and Proteins Studied Using Mass Spectrometry Michael A Baldwin 2089 Perfused Organs Studied Using NMR Spectroscopy John C Docherty 2099 PET, Methods and Instrumentation TJ Spinks 2107 PET, Theory TJ Spinks 2119 Pharmaceutical Applications of Atomic Spectroscopy Nancy S Lewen, Martha M Schenkenberger 2128 Photoacoustic Spectroscopy, Applications Markus W Sigrist 2137 Photoacoustic Spectroscopy, Methods and Instrumentation Markus W Sigrist 2146 Photoacoustic Spectroscopy, Theory Andra´s Miklo´ s, Stefan Scha¨fer, Peter Hess 2151 Photoelectron Spectrometers La´szlo´ Szepes, Gyo¨ rgy Tarczay 2159 Photoelectron Spectroscopy John Holmes 2167 Photoelectron–Photoion Coincidence Methods in Mass Spectrometry (PEPICO) Tomas Baer 2168 Photoionization and Photodissociation Methods in Mass Spectrometry John C Traeger 2176 Plant Science Applications of NMR RG Ratcliffe 2184 Plasma Desorption Ionization Using 252Cf in Mass Spectrometry Ronald D Macfarlane 2195 31P NMR David G Gorenstein, Bruce A Luxon 2204 Polymer Applications of IR and Raman Spectroscopy CM Snively, JL Koenig 2213 Polymer Applications of NMR Kay Saalwa¨chter, Detlef Reichert 2221 Polymorphism Studied by Solid-state NMR Robin K Harris 2237 Positron Emission Tomography (PET) Applications Ludwig G Strauss, Antonia Dimitrakopoulou-Strauss 2247 Powder X-Ray Diffraction, Applications Daniel Loue¨r 2253 Product Operator Formalism in NMR Timothy J Norwood 2263 Proteins Studied by NMR Christina Redfield 2272 Proteomics Kim K Hixson, Daniel Lopez-Ferrer, Errol W Robinson, Ljiljana Pasˇa-Tolic´ 2280 Proton Affinities Determined Using Mass Spectrometry Edward PL Hunter, Sharon G Lias 2289 Proton Microprobe (Method and Background) Geoff W Grime 2296 Pyrolysis Mass Spectrometry, Methods Jacek P Dworzanski, Henk LC Meuzelaar 2301 xxx Contents

Q Quadrupoles, Use of in Mass Spectrometry PH Dawson, DJ Douglas 2315 Quantitative Analysis T Frost 2325 Quantitative NMR, Methods and Applications Ulrike Holzgrabe 2331

R Radiofrequency Field Gradients in NMR, Theory Daniel Canet 2341 Raman and Infrared Microspectroscopy Pina Colarusso, Linda H Kidder, Ira W Levin, E Neil Lewis 2349 Raman Optical Activity, Applications Gu¨ nter Georg Hoffmann 2358 Raman Optical Activity, Macromolecule and Biological Molecule Applications Gu¨ nter Georg Hoffmann 2369 Raman Optical Activity, Small Molecule Applications Gu¨ nter Georg Hoffmann 2378 Raman Optical Activity, Spectrometers Werner Hug 2387 Raman Optical Activity, Theory Laurence A Nafie 2397 Raman Spectrometers Bernhard Schrader 2406 Rayleigh Scattering and Raman Effect, Theory David L Andrews 2413 Reflectance Methods and Applications Bruce Hapke 2420 Resonance Raman Applications Sebastian Schlu¨ cker, Sunil K Srivastava 2426 Rigid Solids Studied Using MRI David G Cory 2435 Rotational Spectroscopy, Theory Iain R McNab 2444

S Scanning Near-Field Optical Microscopy and Related Techniques Debdulal Roy, Alex E Knight 2457 Scanning Probe Microscopes JG Kushmerick, PS Weiss 2464 Scanning Probe Microscopy, Applications CJ Roberts, MC Davies, SJB Tendler, PM Williams 2473 Scanning Probe Microscopy, Theory AJ Fisher 2481 Scattering and Particle Sizing Applications F Ross Hallett 2488 Scattering Theory Michael Kotlarchyk 2495 Secondary Ion Mass Spectrometry Amy V Walker 2504 Sector Mass Spectrometers R Bateman 2511 SIFT Applications in Mass Spectrometry David Smith, Patrik Sˇpaneˇl 2518 Single Photon Imaging and Instrumentation Anna Celler 2531 29Si NMR Heinrich C Marsmann 2539 Small Molecule Applications of X-Ray Diffraction Andrei S Batsanov 2550 Small Molecule X-Ray Crystallography, Theory and Workflow Delphine D Le Pevelen 2559 Solid State NMR Using Quadrupolar Nuclei Alejandro C Olivieri 2577 Contents xxxi

Solid State NMR, Methods JW Zwanziger, HW Spiess 2587 Solid State NMR, Rotational Resonance David L Bryce, Roderick E Wasylishen 2595 Solvent Suppression Methods in NMR Spectroscopy Maili Liu, Xi-an Mao 2604 Sonically Induced NMR Methods John Homer 2611 SPECT, Methods and Instrumentation John C Lindon 2618 Spectroelectrochemistry, Applications RJ Mortimer 2620 Spectroelectrochemistry, Methods and Instrumentation Roger J Mortimer 2633 Spectroscopic Methods in Drug Quality Control and Development Sa´ndor Go¨ ro¨ g, Csaba Sza´ntay Jr 2640 Spectroscopy for Process Analytical Technology (PAT) Erik Skibsted, Søren Balling Engelsen 2651 Spectroscopy in Biotechnology Research and Development Anna E Hills 2662 Spectroscopy of Ions John P Maier 2668 Spin Trapping and Spin Labelling Studied Using EPR Spectroscopy Carmen M Arroyo 2675 Stars, Spectroscopy of AGGM Tielens 2684 Statistical Theory of Mass Spectra JC Lorquet 2689 Studied Using Mass Spectrometry Asher Mandelbaum 2696 Structural Chemistry Using NMR Spectroscopy, Inorganic Molecules GE Hawkes 2708 Structural Chemistry Using NMR Spectroscopy, Organic Molecules Cynthia K McClure 2718 Structural Chemistry Using NMR Spectroscopy, Peptides Martin Huenges, Horst Kessler 2730 Structural Chemistry Using NMR Spectroscopy, Pharmaceuticals Alexandros Makriyannis, Spiro Pavlopoulos 2745 Structure Refinement (Solid State Diffraction) Dieter Schwarzenbach, Howard D Flack 2756 Surface Induced Dissociation in Mass Spectrometry, Historical Perspective SA Miller, SL Bernasek 2763 Surface Induced Dissociation and Soft Landing Techniques in Mass Spectrometry Jean H Futrell, Julia Laskin 2778 Surface Plasmon Resonance, Applications Zdzislaw Salamon, Gordon Tollin 2788 Surface Plasmon Resonance, Instrumentation RPH Kooyman 2796 Surface Plasmon Resonance, Theory Zdzislaw Salamon, Gordon Tollin 2804 Surface Studies by IR Spectroscopy Norman Sheppard 2813 Surface-Enhanced Raman Scattering (SERS), Applications WE Smith, C Rodger 2822 Symmetry in Spectroscopy, Effects of SFA Kettle 2828

T Tensor Representations Peter Herzig, Rainer Dirl 2833 Thermospray Ionization in Mass Spectrometry WMA Niessen 2844 Time of Flight Mass Spectrometers KG Standing, W Ens 2851 Tritium NMR, Applications John R Jones 2857 Two-Dimensional NMR Peter L Rinaldi, Masud Monwar 2861 xxxii Contents

U UV-Visible Absorption Spectrometers George Tranter 2877 UV-Visible Fluorescence Spectrometers George Tranter 2881

V Vibrational CD, Applications Gu¨ nter Georg Hoffmann 2887 Vibrational CD Spectrometers Laurence A Nafie 2899 Vibrational CD, Theory Philip J Stephens 2910 Vibrational CD, Theory and Application to Determination of Absolute Configuration Philip J Stephens, Frank J Devlin 2916 Vibrational, Rotational and Raman Spectrocopy, Historical Perspective AS Gilbert 2938

X Xenon NMR Spectroscopy Jukka Jokisaari 2949 X-Ray Absorption Spectrometers Grant Bunker 2961 X-Ray Crystallography of Macromolecules, Theory and Methods Anthony CT North 2968 X-Ray Emission Spectroscopy, Applications George N Dolenko, Oleg Kh Poleshchuk, Jolanta N Latos´in´ska 2976 X-Ray Emission Spectroscopy, Methods George N Dolenko, Oleg Kh Poleshchuk, Jolanta N Latos´in´ska 2984 X-Ray Fluorescence Spectrometers Utz Kramar 2989 X-Ray Fluorescence Spectroscopy, Applications Christina Streli, P Wobrauschek, P Kregsamer 3000 X-Ray Spectroscopy, Theory Prasad A Naik 3010 X-Ray Tomography Methods and Applications Simon A Jackson, Robert A Crossley 3021

Z Zeeman and Stark Methods in Spectroscopy, Applications Ichita Endo, Masataka Linuma 3031 Zeeman and Stark Methods in Spectroscopy, Instrumentation Ichita Endo, Masataka Linuma 3035 Zero Kinetic Energy Photoelectron Spectroscopy, Applications KMu¨ ller-Dethlefs, Mark Ford 3040 Zero Kinetic Energy Photoelectron Spectroscopy, Theory KMu¨ ller-Dethlefs, Mark Ford 3050 Appendices 3057 Subject Index 3107