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“Introduction to Spectroscopy – Fifth Edition”  المجلد الخامس  نسخة أصلية بالألوان ، حيث يعتبر هذا الكتاب من أهم المراجع
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قام بتأليف هذا الكتاب أربعة من العلماء فى مجال الكيمياء وهم :


1-
Donald L. Pavia
2- Gary M. Lampman
3- George S. Kriz
4- James A. Vyvyan

معلومات عن الكتاب


لغة الكتاب : اللغة الإنجليزية
اسم الكتاب: Introduction to
Spectroscopy- Fifth edition
تأليف :تم ذكر المؤلفين أعلاه
رقم الطبعة: المجلد
الخامس
 Fifth
Edition
سنة الإصدار: 2013
صيغة الملف: pdf بالألوان
عدد الفصول: 11
عدد الصفحات: 776

محتويات الكتاب


C H A P T E R 1
MOLECULAR FORMULAS
1.1 Elemental Analysis and
Calculations 
1.2 Determination of Molecular Mass 
1.3 Molecular Formulas
1.4 Index of Hydrogen Deficiency 
1.5 The Rule of Thirteen 
1.6 The Nitrogen Rule 
Problems 
References 

C H A P T E R 2
INFRARED SPECTROSCOPY
14
2.1 The Infrared Absorption Process
2.2 Uses of the Infrared Spectrum 
2.3 The Modes of Stretching and
Bending 
2.4 Bond Properties and Absorption
Trends 
2.5 The Infrared Spectrometer 
A. Dispersive Infrared Spectrometers 
B. Fourier Transform Spectrometers 
2.6 Preparation of Samples for
Infrared Spectroscopy 
2.7 What to Look for When Examining
Infrared Spectra 
2.8 Correlation Charts and Tables
2.9 How to Approach the Analysis of a Spectrum (Or What You Can
Tell at a Glance)
2.10
Hydrocarbons: Alkanes, Alkenes, and Alkynes 
A. Alkanes 
B. Alkenes 
C. Alkynes 
2.11 Aromatic Rings 
2.12 Alcohols and Phenols 
2.13 Ethers 
2.14 Carbonyl Compounds 
A. Factors That Influence the CJO
Stretching Vibration 
B. Aldehydes 
C. Ketones 
D. Carboxylic Acids 
E. Esters 
F. Amides 
G. Acid Chlorides 
H. Anhydrides 
2.15 Amines 
2.16 Nitriles, Isocyanates,
Isothiocyanates, and Imines 
2.17 Nitro Compounds 
2.18 Carboxylate Salts, Amine Salts,
and Amino Acids 
2.19 Sulfur Compounds 
2.20 Phosphorus Compounds 
2.21 Alkyl and Aryl Halides 
2.22 The Background Spectrum 
2.23 How to Solve Infrared Spectral
Problems 
Problems 
References 

C H A P T E R 3
MASS SPECTROMETRY
PART ONE: BASIC
THEORY, INSTRUMENTATION, AND
SAMPLING TECHNIQUES
107
3.1 The Mass Spectrometer: Overview 
3.2 Sample Introduction 
3.3 Ionization Methods1
A. Electron Ionization (EI) 
B. Chemical Ionization (CI) 
C. Desorption Ionization Techniques
(SIMS, FAB, and MALDI) 
D. Electrospray Ionization (ESI) 
3.4 Mass Analysis 
A. The Magnetic Sector Mass Analyzer 
B. Double-Focusing Mass Analyzers 
C. Quadrupole Mass Analyzers 
D. Time-of-Flight Mass Analyzers 
3.5 Detection and Quantitation: The
Mass Spectrum 
3.6 Determination of Molecular Weight 
3.7 Determination of Molecular
Formulas 
A. Precise Mass Determination 
B. Isotope Ratio Data 
Problems 
References 

C H A P T E R 4
MASS SPECTROMETRY
PART TWO:
FRAGMENTATION AND STRUCTURAL ANALYSIS 139
4.1 The Initial Ionization Event 139
4.2 Fundamental Fragmentation
Processes 140
A. Stevenson’s Rule 141
B. Radical-Site Initiated Cleavage: α-Cleavage
141
C. Charge-Site Initiated Cleavage:
Inductive Cleavage 141
D. Two-Bond Cleavage 142
E. Retro Diels-Alder Cleavage 143
F. McLafferty Rearrangements 143
G. Other Cleavage Types 144
4.3 Fragmentation Patterns of
Hydrocarbons 144
A. Alkanes 144
B. Cycloalkanes 147
C. Alkenes 148
D. Alkynes 150
E. Aromatic Hydrocarbons 151
4.4 Fragmentation Patterns of
Alcohols, Phenols, and Thiols 156
4.5 Fragmentation Patterns of Ethers
and Sulfides 163
4.6 Fragmentation Patterns of
Carbonyl-Containing Compounds 166
A. Aldehydes 166
B. Ketones 169
C. Esters 172
D. Carboxylic Acids 175
4.7 Fragmentation Patterns of Amines
178
4.8 Fragmentation Patterns of Other
Nitrogen Compounds 182
4.9 Fragmentation Patterns of Alkyl
Chlorides and Alkyl Bromides 184
4.10 Computerized Matching of
Spectra with Spectral Libraries 189
4.11 Strategic Approach to Analyzing
Mass Spectra and Solving Problems 191
4.12 How to Solve Mass Spectral
Problems 192
References 214

C H A P T E R 5
NUCLEAR MAGNETIC RESONANCE
SPECTROSCOPY
PART ONE: BASIC CONCEPTS 215
5.1 Nuclear Spin States 215
5.2 Nuclear Magnetic Moments 216
5.3 Absorption of Energy 217
5.4 The Mechanism of Absorption
(Resonance) 219
5.5 Population Densities of Nuclear
Spin States 221
5.6 The Chemical Shift and Shielding
222
5.7 The Nuclear Magnetic Resonance
Spectrometer 224
A. The Continuous-Wave (CW)
Instrument 224
B. The Pulsed Fourier Transform (FT)
Instrument 226
5.8 Chemical Equivalence—A Brief
Overview 230
5.9 Integrals and Integration 231
5.10 Chemical Environment and
Chemical Shift 233
5.11 Local Diamagnetic Shielding 234
A. Electronegativity Effects 234
B. Hybridization Effects 236
C. Acidic and Exchangeable Protons;
Hydrogen Bonding 237
5.12 Magnetic Anisotropy 238
5.13 Spin–Spin Splitting (n +1)
Rule 241
5.14 The Origin of Spin–Spin
Splitting 244
5.15 The Ethyl Group (CH3CH2–) 246
5.16 Pascal’s Triangle 247
5.17 The Coupling Constant 248
5.18 A Comparison of NMR Spectra at
Low- and High-Field Strengths 251
5.19 Survey of Typical 1H NMR
Absorptions by Type of Compound 252
A. Alkanes 252
B. Alkenes 254
C. Aromatic Compounds 255
D. Alkynes 256
E. Alkyl Halides 258
F. Alcohols 259
G. Ethers 261
H. Amines 262
I. Nitriles 263
J. Aldehydes 264
K. Ketones 265
L. Esters 267
M. Carboxylic Acids 268
N. Amides 269
O. Nitroalkanes 270
5.20 How to Solve NMR Spectra
Problems 271
Problems 276
References 288

C H A P T E R 6
NUCLEAR MAGNETIC RESONANCE
SPECTROSCOPY
PART TWO: CARBON-13 SPECTRA,
INCLUDING HETERONUCLEAR COUPLING
WITH OTHER NUCLEI 290
6.1 The Carbon-13 Nucleus 290
6.2 Carbon-13 Chemical Shifts 291
A. Correlation Charts 291
B. Calculation of 13C Chemical
Shifts 293
6.3 Proton-Coupled 13C Spectra—Spin–Spin
Splitting of Carbon-13 Signals 294
6.4 Proton-Decoupled 13C Spectra 296
6.5 Nuclear Overhauser Enhancement
(NOE) 297
6.6 Cross-Polarization: Origin of
the Nuclear Overhauser Effect 299
6.7 Problems with Integration in 13C
Spectra 302
6.8 Molecular Relaxation Processes
303
6.9 Off-Resonance Decoupling 305
6.10 A Quick Dip into DEPT 305
6.11 Some Sample Spectra—Equivalent
Carbons 308
6.12 Non-Equivalent Carbon Atoms 310
6.13 Compounds with Aromatic Rings
311
6.14 Carbon-13 NMR Solvents—Heteronuclear
Coupling of Carbon to Deuterium 313
6.15 Heteronuclear Coupling of
Carbon-13 to Fluorine-19 316
6.16 Heteronuclear Coupling of
Carbon-13 to Phosphorus-31 318
6.17 Carbon and Proton NMR: How to
Solve a Structure Problem 319
Problems 323

C H A P T E R 7
NUCLEAR MAGNETIC RESONANCE
SPECTROSCOPY
PART THREE: SPIN–SPIN COUPLING 349
7.1 Coupling Constants: Symbols 349
7.2 Coupling Constants: The
Mechanism of Coupling 350
A. One-Bond Couplings (1J)
351
B. Two-Bond Couplings (2J)
352
C. Three-Bond Couplings (3J)
355
D. Long-Range Couplings (4JnJ)
360
7.3 Magnetic Equivalence 363
7.4 Spectra of Diastereotopic
Systems 368
A. Diastereotopic Hydrogens: Ethyl
3-Hydroxybutanoate 368
B. Diastereotopic Hydrogens: The
Diels-Alder Adduct of
Anthracene-9-methanol and N-Methylmaleimide
372
C. Diastereotopic Hydrogens:
4-Methyl-2-pentanol 374
D. Diastereotopic Methyl Groups:
4-Methyl-2-pentanol 376
7.5 Nonequivalence within a Group—The
Use of Tree Diagrams
when the n + 1 Rule Fails 377
7.6 Measuring Coupling Constants
from First-Order Spectra 380
A. Simple Multiplets—One Value of J
(One Coupling) 380
B. Is the n + 1 Rule Ever Really
Obeyed? 382
C. More Complex Multiplets—More Than
One Value of J 384
7.7 Second-Order Spectra—Strong
Coupling 388
A. First-Order and Second-Order
Spectra 388
B. Spin System Notation 389
C. The A2, AB, and AX Spin Systems
390
D. The AB2 . . . AX2 and A2B2 . . .
A2X2 Spin Systems 390
E. Simulation of Spectra 392
F. The Absence of Second-Order
Effects at Higher Field 392
G. Deceptively Simple Spectra 393
7.8 Alkenes 397
7.9 Measuring Coupling Constants—Analysis
of an Allylic System 401
7.10 Aromatic Compounds—Substituted
Benzene Rings 405
A. Monosubstituted Rings 405
B. para-Disubstituted Rings
408
C. Other Substitution 410
7.11 Coupling in Heteroaromatic
Systems 414
7.12 Heteronuclear Coupling of 1H to
19F and 31P 416
A. 1H to 19F Couplings 416
B. 1H to 31P Couplings 418
7.13 How to Solve Problems Involving
Coupling Constant Analysis 420
Problems 424
References 455

C H A P T E R 8
NUCLEAR MAGNETIC RESONANCE SPECTROSCOPY
PART FOUR: OTHER TOPICS IN ONE-DIMENSIONAL NMR 457
8.1 Protons on Oxygen: Alcohols 457
8.2 Exchange in Water and D2O 460
A. Acid/Water and Alcohol/Water
Mixtures 460
B. Deuterium Exchange 461
C. Peak Broadening Due to Exchange
463
8.3 Other Types of Exchange:
Tautomerism 464
8.4 Protons on Nitrogen: Amines 466
8.5 Protons on Nitrogen: Quadrupole
Broadening and Decoupling 470
8.6 Amides 471
8.7 Solvent Effects 475
8.8 Chemical Shift Reagents 479
8.9 Chiral Resolving Agents 481
8.10 Determining Absolute and
Relative Configuration via NMR 484
A. Determining Absolute
Configuration 484
B. Determining Relative
Configuration 486
8.11 Nuclear Overhauser Effect
Difference Spectra 487
8.12 How to Solve Problems Involving
Advanced 1-D Methods 489
Problems 490
References 509

C H A P T E R 9
NUCLEAR MAGNETIC RESONANCE SPECTROSCOPY
PART FIVE: ADVANCED NMR TECHNIQUES 511
9.1 Pulse Sequences 511
9.2 Pulse Widths, Spins, and
Magnetization Vectors 513
9.3 Pulsed Field Gradients 517
9.4 The DEPT Experiment: Number of
Protons Attached to 13C Atoms 519
9.5 Determining the Number of Attached
Hydrogens 522
A. Methine Carbons (CH) 522
B. Methylene Carbons (CH2) 523
C. Methyl Carbons (CH3) 525
D. Quaternary Carbons (C) 525
E. The Final Result 526
9.6 Introduction to Two-Dimensional
Spectroscopic Methods 526
9.7 The COSY Technique: 1H-1H
Correlations 526
A. An Overview of the COSY
Experiment 527
B. How to Read COSY Spectra 528



9.8 The HETCOR Technique: 1H-13C
Correlations 534
A. An Overview of the HETCOR
Experiment 535
B. How to Read HETCOR Spectra 535
9.9 Inverse Detection Methods 539
9.10 The NOESY Experiment 539
9.11 Magnetic Resonance Imaging 541
9.12 Solving a Structural Problem
Using Combined 1-D and 2-D Techniques 542
A. Index of Hydrogen Deficiency and
Infrared Spectrum 543
B. Carbon-13 NMR Spectrum 543
C. DEPT Spectrum 544
D. Proton NMR Spectrum 545
E. COSY NMR Spectrum 547
F. HETCOR (HSQC) NMR Spectrum 548
Problems 549
References 576

C H A P T E R 10
ULTRAVIOLET SPECTROSCOPY 577
10.1 The Nature of Electronic
Excitations 577
10.2 The Origin of UV Band Structure
579
10.3 Principles of Absorption
Spectroscopy 579
10.4 Instrumentation 580
10.5 Presentation of Spectra 581
10.6 Solvents 582
10.7 What Is a Chromophore? 583
10.8 The Effect of Conjugation 586
10.9 The Effect of Conjugation on
Alkenes 587
10.10 The Woodward–Fieser Rules for
Dienes 590
10.11 Carbonyl Compounds; Enones 593
10.12 Woodward’s Rules for Enones
596
10.13 Unsaturated Aldehydes,
Acids, and Esters 598
10.14 Aromatic Compounds 598
A. Substituents with Unshared
Electrons 600
B. Substituents Capable of _-Conjugation
602
C. Electron-Releasing and
Electron-Withdrawing Effects 602
D. Disubstituted Benzene Derivatives
602
E. Polynuclear Aromatic Hydrocarbons
and Heterocyclic Compounds 605 
10.15
Model Compound Studies 607
10.16 Visible Spectra: Color in
Compounds 608
10.17 What to Look for in an
Ultraviolet Spectrum: A Practical Guide 609
Problems 611
References 613

C H A P T E R 1 1
COMBINED STRUCTURE PROBLEMS 614
Example 1 616
Example 2 618
Example 3 620
Example 4 623
Problems 624
Sources of Additional Problems 689

ANSWERS TO SELECTED PROBLEMS ANS-1 

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