Verfügbarkeit: Electronic and photoelectron spectroscopy

Electronic and photoelectron spectroscopy: fundamentals and case studies

Gespeichert in:

Bibliographische Detailangaben
Beteiligte Personen:	Ellis, Andrew Michael (VerfasserIn), Fehér, Miklós (VerfasserIn), Wright, Timothy Grahame (VerfasserIn)
Format:	Buch
Sprache:	Englisch
Veröffentlicht:	Cambridge [u.a.] Cambridge Univ. Press 2005
Ausgabe:	1. publ.
Schlagwörter:	Espectroscopia eletrônica Espectroscopia fotoeletrônica Photoelectron spectroscopy > Study and teaching Electron spectroscopy > Study and teaching Elektronenspektroskopie Photoelektronenspektroskopie
Links:	http://www.loc.gov/catdir/toc/cam051/2004052544.html http://www.loc.gov/catdir/description/cam051/2004052544.html http://bvbr.bib-bvb.de:8991/F?func=service&doc_library=BVB01&local_base=BVB01&doc_number=013222050&sequence=000001&line_number=0001&func_code=DB_RECORDS&service_type=MEDIA
Beschreibung:	Includes bibliographical references and index
Umfang:	XIII, 286 S. graph. Darst.
ISBN:	0521817374

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adam_text	ELECTRONIC AND PHOTOELECTRON SPECTROSCOPY FUNDAMENTALS AND CASE STUDIES ANDREW M. ELLIS DEPARTMENT OF CHEMISTRY UNIVERSITY OF LEICESTER, UK MIKLOS FEHER NEUROCRINE BIOSCIENCES SAN DIEGO, USA TIMOTHY G. WRIGHT SCHOOL OF CHEMISTRY UNIVERSITY OF NOTTINGHAM, UK CAMBRIDGE UNIVERSITY PRESS CONTENTS PREFACE PAGE XI LIST OF JOURNAL ABBREVIATIONS XIII PART I FOUNDATIONS OF ELECTRONIC AND PHOTOELECTRON SPECTROSCOPY 1 1 INTRODUCTION 3 1.1 THE BASICS 3 1.2 INFORMATION OBTAINED FROM ELECTRONIC AND PHOTOELECTRON SPECTRA 5 2 ELECTRONIC STRUCTURE 7 2.1 ORBITALS: QUANTUM MECHANICAL BACKGROUND 7 REFERENCES 11 3 ANGULAR MOMENTUM IN SPECTROSCOPY 12 4 CLASSIFICATION OF ELECTRONIC STATES 15 4.1 ATOMS - 15 4.2 MOLECULES 17 REFERENCES 23 5 MOLECULAR VIBRATIONS 24 5.1 DIATOMIC MOLECULES 24 5.2 POLYATOMIC MOLECULES 31 REFERENCES 39 6 MOLECULAR ROTATIONS 4 0 6.1 DIATOMIC MOLECULES 40 6.2 POLYATOMIC MOLECULES 43 7 TRANSITION PROBABILITIES 51 7.1 TRANSITION MOMENTS 51 7.2 FACTORIZATION OF THE TRANSITION MOMENT 56 REFERENCES 64 V VI CONTENTS PART II EXPERIMENTAL TECHNIQUES 65 8 THE SAMPLE 67 8.1 THERMAL SOURCES 67 8.2 SUPERSONIC JETS 68 8.3 MATRIX ISOLATION 72 REFERENCES 74 9 BROADENING OF SPECTROSCOPIC LINES 75 9.1 NATURAL BROADENING 75 9.2 DOPPLER BROADENING 76 9.3 PRESSURE BROADENING 77 10 LASERS 78 10.1 PROPERTIES 78 10.2 BASIC PRINCIPLES 79 10.3 ION LASERS 81 10.4 ND:YAG LASER 81 10.5 EXCIMER LASER 82 10.6 DYE LASERS 83 10.7 TITANIUM:SAPPHIRE LASER 85 10.8 OPTICAL PARAMETRIC OSCILLATORS 86 REFERENCES 86 11 OPTICAL SPECTROSCOPY 87 11.1 CONVENTIONAL ABSORPTION/EMISSION SPECTROSCOPY 87 11.2 LASER-INDUCED FLUORESCENCE (LIF) SPECTROSCOPY 89 11.3 CAVITY RINGDOWN (CRD) LASER ABSORPTION SPECTROSCOPY 92 11.4 RESONANCE-ENHANCED MULTIPHOTON IONIZATION (REMPI) SPECTROSCOPY 94 11.5 DOUBLE-RESONANCE SPECTROSCOPY 96 11.6 FOURIER TRANSFORM (FT) SPECTROSCOPY 97 REFERENCES 101 12 PHOTOELECTRON SPECTROSCOPY 102 12.1 CONVENTIONAL ULTRAVIOLET PHOTOELECTRON SPECTROSCOPY 102 12.2 SYNCHROTRON RADIATION IN PHOTOELECTRON SPECTROSCOPY 105 12.3 NEGATIVE ION PHOTOELECTRON SPECTROSCOPY 105 12.4 PENNING IONIZATION ELECTRON SPECTROSCOPY 107 12.5 ZERO ELECTRON KINETIC ENERGY (ZEKE) SPECTROSCOPY 107 12.6 ZEKE-PFI SPECTROSCOPY 110 REFERENCE 110 FURTHER READING 110 CONTENTS VII PART III CASE STUDIES 111 13 ULTRAVIOLET PHOTOELECTRON SPECTRUM OF CO 113 13.1 ELECTRONIC STRUCTURES OF CO AND CO + 113 13.2 FIRST PHOTOELECTRON BAND SYSTEM 115 13.3 SECOND PHOTOELECTRON BAND SYSTEM 115 13.4 THIRD PHOTOELECTRON BAND SYSTEM 116 13.5 ADIABATIC AND VERTICAL IONIZATION ENERGIES 116 13.6 INTENSITIES OF PHOTOELECTRON BAND SYSTEMS 117 13.7 DETERMINING BOND LENGTHS FROM FRANCK-CONDON FACTOR CALCULATIONS 118 REFERENCES 119 14 PHOTOELECTRON SPECTRA OF C0 2 , OCS, AND CS2 IN A MOLECULAR BEAM 120 14.1 FIRST PHOTOELECTRON BAND SYSTEM 123 14.2 SECOND PHOTOELECTRON BAND SYSTEM 125 14.3 THIRD AND FOURTH PHOTOELECTRON BAND SYSTEMS 126 14.4 ELECTRONIC STRUCTURES: CONSTRUCTING AN MO DIAGRAM FROM PHOTOELECTRON SPECTRA 126 REFERENCES 128 15 PHOTOELECTRON SPECTRUM OF NO^ 129 15.1 THE EXPERIMENT 129 15.2 VIBRATIONAL STRUCTURE 130 15.3 VIBRATIONAL CONSTANTS 132 15.4 STRUCTURE DETERMINATION 132 15.5 ELECTRON AFFINITY AND THERMODYNAMIC PARAMETERS 134 15.6 ELECTRONIC STRUCTURE 134 REFERENCES 137 16 LASER-INDUCED FLUORESCENCE SPECTROSCOPY OF C3: ROTATIONAL STRUCTURE IN THE 300 NM SYSTEM 138 16.1 ELECTRONIC STRUCTURE AND SELECTION RULES 138 16.2 ASSIGNMENT AND ANALYSIS OF THE ROTATIONAL STRUCTURE 141 16.3 BAND HEAD FORMATION 143 REFERENCES 143 17 PHOTOIONIZATION SPECTRUM OF DIPHENYLAMINE: AN UNUSUAL ILLUSTRATION OF THE FRANCK-CONDON PRINCIPLE 144 REFERENCES 149 18 VIBRATIONAL STRUCTURE IN THE ELECTRONIC SPECTRUM OF 1,4-BENZODIOXAN: ASSIGNMENT OF LOW FREQUENCY MODES 150 18.1 AB INITIO CALCULATIONS 152 18.2 ASSIGNING THE SPECTRA 152 REFERENCES 156 VIII CONTENTS 19 VIBRATIONALLY RESOLVED ULTRAVIOLET SPECTROSCOPY OF PROPYNAL 157 19.1 ELECTRONIC STATES 159 19.2 ASSIGNING THE VIBRATIONAL STRUCTURE 159 19.3 LIF SPECTROSCOPY OF JET-COOLED PROPYNAL 161 REFERENCES 164 20 ROTATIONALLY RESOLVED LASER EXCITATION SPECTRUM OF PROPYNAL 16 5 20.1 ASSIGNING THE ROTATIONAL STRUCTURE 165 20.2 PERPENDICULAR VERSUS PARALLEL CHARACTER 167 20.3 ROTATIONAL CONSTANTS 168 20.4 EFFECTS OF ASYMMETRY 168 REFERENCES 170 21 ZEKE SPECTROSCOPY OF A1(H 2 0) AND A1(D 2 0) 171 21.1 EXPERIMENTAL DETAILS 172 21.2 ASSIGNMENT OF THE VIBRATIONALLY RESOLVED SPECTRUM 172 21.3 DISSOCIATION ENERGIES 175 21.4 ROTATIONAL STRUCTURE 177 21.5 BONDING IN A1(H 2 0) 178 REFERENCES 179 22 ROTATIONALLY RESOLVED ELECTRONIC SPECTROSCOPY OF THE NO FREE RADICAL 180 REFERENCES 186 23 VIBRATIONALLY RESOLVED SPECTROSCOPY OF MG + -RARE GAS COMPLEXES 187 23.1 EXPERIMENTAL DETAILS 188 23.2 PRELIMINARIES: ELECTRONIC STATES 189 23.3 PHOTODISSOCIATION SPECTRA 190 23.4 SPIN-ORBIT COUPLING 190 23.5 VIBRATIONAL ASSIGNMENT 193 23.6 VIBRATIONAL FREQUENCIES 194 23.7 DISSOCIATION ENERGIES 195 23.8 B-X SYSTEM 196 REFERENCES 196 24 ROTATIONALLY RESOLVED SPECTROSCOPY OF MG + -RARE GAS COMPLEXES 197 24.1 X 2 T,+ STATE 197 24.2 A 2 U STATE 199 24.3 TRANSITION ENERGIES AND SELECTION RULES 200 24.4 PHOTODISSOCIATION SPECTRA OF MG + -NE AND MG + -AR 201 REFERENCES 204 CONTENTS IX 25 VIBRONIC COUPLING IN BENZENE 205 25.1 THE HERZBERG-TELLER EFFECT 208 REFERENCES 209 26 REMPI SPECTROSCOPY OF CHLOROBENZENE 210 26.1 EXPERIMENTAL DETAILS AND SPECTRUM 211 26.2 ASSIGNMENT 212 REFERENCES 215 27 SPECTROSCOPY OF THE CHLOROBENZENE CATION 216 27.1 THEL 2 5I STATE 216 27.2 THE * STATE 221 REFERENCES 222 28 CAVITY RINGDOWN SPECTROSCOPY OF THE A 1 A * * 3 ,% TRANSITION IN O2 223 28.1 EXPERIMENTAL 223 28.2 ELECTRONIC STATES OF O2 225 28.3 ROTATIONAL ENERGY LEVELS 226 28.4 NUCLEAR SPIN STATISTICS 227 28.5 SPECTRUM ASSIGNMENT 228 28.6 WHY IS THIS STRONGLY FORBIDDEN TRANSITION OBSERVED? 229 REFERENCES 229 APPENDIX A UNITS IN SPECTROSCOPY 230 A. 1 SOME FUNDAMENTAL CONSTANTS AND USEFUL UNIT CONVERSIONS 231 APPENDIX ELECTRONIC STRUCTURE CALCULATIONS 232 B.L PRELIMINARIES 232 B.2 HARTREE-FOCK METHOD 234 B.3 SEMIEMPIRICAL METHODS 237 B.4 BEYOND THE HARTREE-FOCK METHOD: ALLOWING FOR ELECTRON CORRELATION 238 B.5 DENSITY FUNCTIONAL THEORY (DFT) 239 B.6 SOFTWARE PACKAGES 240 B.7 CALCULATION OF MOLECULAR PROPERTIES 240 REFERENCES 242 FURTHER READING 242 APPENDIX * COUPLING OF ANGULAR MOMENTA: ELECTRONIC STATES 243 C. 1 COUPLING IN THE GENERAL CASE: THE BASICS 244 C.2 COUPLING OF ANGULAR MOMENTA IN ATOMS 244 C.3 COUPLING OF ELECTRONIC ANGULAR MOMENTA IN LINEAR MOLECULES 246 C.4 NON-LINEAR MOLECULES 248 FURTHER READING 248 CONTENTS APPENDIX D THE PRINCIPLES OF POINT GROUP SYMMETRY AND GROUP THEORY 249 D.L SYMMETRY ELEMENTS AND OPERATIONS 249 D.2 POINT GROUPS 251 D.3 CLASSES AND MULTIPLICATION TABLES 252 D.4 THE MATRIX REPRESENTATION OF SYMMETRY OPERATIONS 254 D.5 CHARACTER TABLES 256 D.6 REDUCIBLE REPRESENTATIONS, DIRECT PRODUCTS, AND DIRECT PRODUCT TABLES 257 D.7 CYCLIC AND LINEAR GROUPS 259 D.8 SYMMETRIZED AND ANTISYMMETRIZED PRODUCTS 261 FURTHER READING 261 SELECTED CHARACTER TABLES 262 APPENDIX * MORE ON ELECTRONIC CONFIGURATIONS AND ELECTRONIC STATES: DEGENERATE ORBITALS AND THE PAULI PRINCIPLE 26 6 E.L ATOMS 266 E.2 MOLECULES 268 APPENDIX F NUCLEAR SPIN STATISTICS 269 F. 1 FERMIONIC NUCLEI 270 F.2 BOSONIC NUCLEI 270 APPENDIX G COUPLING OF ANGULAR MOMENTA: HUND S COUPLING CASES 272 G.L HUND S CASE (A) 272 G.2 HUND S CASE (B) 274 G.3 OTHER HUND S COUPLING CASES 276 FURTHER READING 276 APPENDIX H COMPUTATIONAL SIMULATION AND ANALYSIS OF ROTATIONAL STRUCTURE 277 H. 1 CALCULATING ROTATIONAL ENERGY LEVELS 277 H.2 CALCULATING TRANSITION INTENSITIES 279 H.3 DETERMINING SPECTROSCOPIC CONSTANTS 279 REFERENCES 280 FURTHER READING 2 81 INDEX 282
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author	Ellis, Andrew Michael Fehér, Miklós Wright, Timothy Grahame
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spellingShingle	Ellis, Andrew Michael Fehér, Miklós Wright, Timothy Grahame Electronic and photoelectron spectroscopy fundamentals and case studies Espectroscopia eletrônica larpcal Espectroscopia fotoeletrônica larpcal Photoelectron spectroscopy Study and teaching Electron spectroscopy Study and teaching Elektronenspektroskopie (DE-588)4014332-6 gnd Photoelektronenspektroskopie (DE-588)4174491-3 gnd
subject_GND	(DE-588)4014332-6 (DE-588)4174491-3
title	Electronic and photoelectron spectroscopy fundamentals and case studies
title_auth	Electronic and photoelectron spectroscopy fundamentals and case studies
title_exact_search	Electronic and photoelectron spectroscopy fundamentals and case studies
title_full	Electronic and photoelectron spectroscopy fundamentals and case studies Andrew M. Ellis ; Miiklos Feher ; Timothy G. Wright
title_fullStr	Electronic and photoelectron spectroscopy fundamentals and case studies Andrew M. Ellis ; Miiklos Feher ; Timothy G. Wright
title_full_unstemmed	Electronic and photoelectron spectroscopy fundamentals and case studies Andrew M. Ellis ; Miiklos Feher ; Timothy G. Wright
title_short	Electronic and photoelectron spectroscopy
title_sort	electronic and photoelectron spectroscopy fundamentals and case studies
title_sub	fundamentals and case studies
topic	Espectroscopia eletrônica larpcal Espectroscopia fotoeletrônica larpcal Photoelectron spectroscopy Study and teaching Electron spectroscopy Study and teaching Elektronenspektroskopie (DE-588)4014332-6 gnd Photoelektronenspektroskopie (DE-588)4174491-3 gnd
topic_facet	Espectroscopia eletrônica Espectroscopia fotoeletrônica Photoelectron spectroscopy Study and teaching Electron spectroscopy Study and teaching Elektronenspektroskopie Photoelektronenspektroskopie
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