تحميل كتاب أساسيات Spectroscopy

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  إستكمالأ لقائمة الكتب الكيميائية الرائعة والمختلفة الذي يقوم موقعنا بتوفيرها للأعضاء الكرام ، نقدم لكم اليوم كتاب غاية فى الروعة وهو كتاب "Introduction to Spectroscopy – Fifth Edition"  المجلد الخامس  نسخة أصلية بالألوان ، حيث يعتبر هذا الكتاب من أهم المراجع فى كيمياء الأطياف و يشمل الكتاب ((11 فصل تنوعت مواضيعها مع الأمثلة التوضيحية والتمارين المحلولة وسوف نسردها بالتفصيل في قسم محتويات الكتاب أدناه.

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 (4J–nJ) 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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