NMR : basic principles and progress NMR : Grundlagen und Fortschritte

著者

• Diehl, Peter
• Fluck, Ekkehard
• Kosfeld, R.

書誌事項

NMR : basic principles and progress = NMR : Grundlagen und Fortschritte

editors, P. Diehl ... [et al.]

Springer-Verlag, 1969-

• vol. 1
• vol. 2
• vol. 3 : gw
• vol. 3 : us
• vol. 4 : gw
• vol. 4 : us
• vol. 5 : gw
• vol. 5 : us
• vol. 6 : gw
• vol. 6 : us
• vol. 7 : gw
• vol. 7 : us

タイトル別名

NMR : basic principles and progress

注記

English title only after v.18

Vol. 3: editors, P Diehl, E. Fluck, R. Kosfeld

Vol. 3: Title on English

内容説明・目次

巻冊次

vol. 4 : gw ISBN 9783540052210

内容説明

Nuclear magnetic resonance spectroscopy, which has evolved only within the last 20 years, has become one of the very important tools in chemistry and physics. The literature on its theory and application has grown immensely and a comprehensive and adequate treatment of all branches by one author, or even by several, becomes increasingly difficult. This series is planned to present articles written by experts working in various fields of nuclear magnetic resonance spectroscopy, and will contain review articles as well as progress reports and original work. Its main aim, however, is to fill a gap, existing in literature, by publishing articles written by specialists, which take the reader from the introductory stage to the latest development in the field. The editors are grateful to the authors for the time and effort spent in writing the articles, and for their invaluable cooperation. The papers presented here are condensed versions of the main contributions to the 7th Colloquium on Nuclear Magnetic Resonance Spectroscopy, which was made possible by the generous support of the Freunde der Aachener Hoch- schule (FAHO). The RWTH is indebted to the FAHO and to all the participants who contributed to the success of the Colloquium.

目次

High Resolution NMR Spectroscopy of Polymers.- NMR-Untersuchungen an Poly-?-Methylstyrol und dessen Copolymeren mit Butadien.- Complete Triad Assignment of Methylmethacrylate-Methacrylic Acid Copolymers.- Problems of Aromatic Copolymer Structure.- Research of Homopolymers and Copolymers of Propylene.- Penultimate Effects in Radical Copolymerization I - Kinetieal Study.- The Cotacticity of (Acrylonitrile-Methyl-Methacrylate) Copolymer by NMR Spectroscopy.- New Concepts in Copolymer Statistics.- Nuclear Magnetic Resonance Wide Line Studies of Water Sorption and Hydrogen Bonding in Cellulose.- The Proton Magnetic Resonance Spectroscopy of Proteins.- Linienbreiten- und Relaxationsphanomene bei der NMR-Festkorperspektroskopie.- NMR Studies of Solid Polymers.- Untersuchung von Beweglichkeiten in Polymeren durch NMR.- Magnetic Relaxation in Polymers. The Rotating Frame Method.- Some Aspects of the Dielectric Relaxation of Amorphous Polymers Including the Effects of a Hydrostatic Pressure.- Conformations of Polymer Chains as Revealed by Infrared Spectroscopy.- ESR-Untersuchungen an Hochpolymeren.

巻冊次

vol. 3 : gw ISBN 9783540053927

内容説明

Nuclear magnetic resonance spectroscopy, which has evolved only within the last 20 years, has become one of the very important tools in chemistry and physics. The literature on its theory and application has grown immensely and a comprehensive and adequate treatment of all branches by one author, or even by several, becomes increasingly difficult. This series is planned to present articles written by experts working in various fields of nuclear magnetic resonance spectroscopy, and will contain review articles as well as progress reports and original work. Its main aim, however, is to fill a gap, existing in literature, by publishing articles written by specialists, which take the reader from the introductory stage to the latest development in the field. The editors are grateful to the authors for the time and effort spent in writing the articles, and for their invaluable cooperation. The Editors Contents o. Kanert and M. Mehring Static Quadrupole Effects in Disordered Cubic Solids 1 F. Noack Nuclear Magnetic Relaxation Spectroscopy 83 Static Quadrupole Effects in Disordered Cubic Solids O. KANERT and M. MEHRING Physikalisches Institut der Universitat MUnster, BRD Contents I. Introduction...3 II. Fundamentals ...4 1. Zero Field Spectra ...4 2. High Field Spectra ...6 3. Transformation of the Electric Field Gradient Tensor ...7 III. The Influence of the Quadrupole Perturbation on the NMR Signal . 8 1. General Theory ...8 a) The Free Induction Decay ...8 b) The Wide-Line Signal ...11 c) The Spin Echo Signal ...:. .

目次

Static Quadrupole Effects in Disordered Cubic Solids.- Nuclear Magnetic Relaxation Spectroscopy.

巻冊次

vol. 5 : gw ISBN 9783540054276

内容説明

Nuclear magnetic resonance spectroscopy, which has evolved only within the last 20 years, has become one of the very important tools in chemistry and physics. The literature on its theory and application has grown immensely and a comprehensive and adequate treatment of all branches by one author, or even by several, becomes increasingly difficult. This series is planned to present articles written by experts working in various fields of nuclear magnetic resonance spectroscopy, and will contain review articles as well as progress reports and original work. Its main aim, however, is to fill a gap, existing in literature, by publishing articles written by specialists, which take the reader from the introductory stage to the latest development in the field. The editors are grateful to the authors for the time and effort spent in writing the articles, and for their invaluable cooperation. The Editors Analysis of NMR Spectra A Guide for Chemists R. A. HOFFMAN t S. FORSEN Division of Physical Chemistry, Chemical Center, Lund Institute of Technology, Lund, Sweden B. GESTBLOM Institute of Physics, University of Uppsala, Sweden Contents I. Principles of NMR Spectroscopy 4 1. 1. The Magnetic Resonance Phenomenon 4 a) Nuclear Moments...4 b) Magnetic Spin States and Energy Levels 5 c) The Magnetic Resonance Condition. 7 d) The Larmor Precession. . 7 e) Experimental Aspects ...8 1. 2. Chemical Shifts ...9 a) The Screening Constant 11...9 b) Chemical Shift Scales (11 and r) 10 1. 3. Spin Coupling Constants 12 1. 4. Intensities...

目次

• I. Principles of NMR Spectroscopy.- I.1. The Magnetic Resonance Phenomenon.- a) Nuclear Moments.- b) Magnetic Spin States and Energy Levels.- c) The Magnetic Resonance Condition.- d) The Larmor Precession.- e) Experimental Aspects.- I.2. Chemical Shifts.- a) The Screening Constant ?.- b) Chemical Shift Scales (? and ?).- I.3. Spin Coupling Constants.- I.4. Intensities.- II. Some Basic Concepts.- II. 1. Groups of Equivalent Spins.- a) Definitions of Equivalence Groupings.- II.2. Time Averaging Phenomena.- a) General Effects of Time-Dependent Interactions.- b) Limiting Cases of Very Slow and Very Rapid Rates.- II.3. The Energy Level and Transition Diagram.- II.4. Strong and Weak Coupling. Nomenclature.- a) Basic Ideas.- b) Weak Coupling in a Simple Spin System.- c) Weak Coupling in a General Case. The Concepts of Basic Groups and Basic Multiplets.- d) The Magnetic Quantum Numbers of Groups of Spins.- e) Notations for Spin Systems.- f) Rules for Establishing the Occurrence of Weak Coupling.- II.5. Invariants in NMR Spectra.- a) The Spectral Moments.- III. Miscellaneous Aids for Spectral Assignment.- III.1. The Need for Additional Information.- III.2. The Effects of a Strong Stimulating Field.- III.3. Controlled Variations of the Larmor Frequencies.- III.4. Double Resonance Methods.- a) Basic Concepts of Double Resonance.- b) Spin Decoupling.- c) Double Resonance Methods Based on Population Transfer.- d) Spin Tickling.- IV. Instant Analysis of NMR Spectra.- IV. 1. Simple First Order Spectra.- a) Second Order Effects in Near First Order Spectra.- b) Accuracies of First Order Estimates in AnXm Spin Systems.- IV.2. The Two-Spin System AB.- a) The General Structure of an AB Spectrum.- b) Expressions for the NMR Parameters.- c) Limiting Cases of AX and A2.- d) Summary.- IV.3. Deceptive Simplicity.- a) Definition of Deceptive Simplicity.- b) Apparent Magnetic Equivalence.- c) Some Aids in Overcoming Deceptive Simplicity.- IV.4. The Three-Spin System ABX.- a) The Energy-Level Diagram of an ABX Spin System *.- b) The Concept of Effective Larmor Frequencies.- c) Effective Larmor Frequencies in the AJBX Spin System.- d) Analysis of Observed ABX Spectra.- e) Basic Structure of an ABX Spectrum.- f) Step-by-step Analysis of an ABX Spectrum.- g) Analysis of an Artificial ABX Spectrum.- h) Degeneracies in ABX Spectra.- IV.5. Generalization of the ABX Analysis Method: ABPX, ABX n etc.- a) The Method of Effective Larmor Frequencies.- b) Basic Structure of an ABX3 Spectrum.- c) Basic Structure of an ABX2 Spectrum.- d) Basic Structure of an ABPX Spin System.- e) Analysis Procedure for an ABPX Spectrum.- IV.6. Magnetic Equivalence and Composite Particles.- a) The Composite Particle Concept.- b) Subspectra Based on the Composite Particle Concept.- IV.7. Spectra Characterized by One Spin-coupling Constant: AnBm.- a) The Structure of A nBm Spectra.- b) The A2B Spin System.- c) The A3B Spin System.- d) The A4B Spin System.- e) The A2B2 Spin System.- f) The A3B2 Spin System.- IV.8. The Structure of AnBmXp Spectra.- IV. 9. The Symmetrical Four-Spin Systems AA'XX' and AA'BB'.- a.) The Energy Level and Transition Diagram.- b.) The AA'XX' Spin System.- c.) Analysis of AA'XX'Spectra.- d.) The Structure of AA'BB'Spectra.- e.) Analysis of AA'BB' Spectra.- f.) Typical Examples of AA'BB' Spin Systems in Proton Magnetic Resonance.- V. Quantum Mechanical Formalism.- V. 1. Introduction to the Quantum Mechanical Description of Spin Systems.- V.2. Quantum Mechanical Calculation of NMR Spectra.- a.) The NMR Spin Hamiltonian.- b.) The Transition Matrix Elements and Relative Intensities.- c) An Example: The AB Spin System.- d) The Choice of Basic Functions
• the Uses of Symmetry.- e) An Example: The AB2 Spin System.- f) Rules for Evaluating Matrix Elements.- g) The ABC and ABX Spin Systems.- h) Two Examples: The AA'XX'and AA'BB' Spin Systems.- V. 3. Iterative and Least Squares Fit Procedures.- VI. Historical Notes and Suggestions for Further Reading.- Appendix A: Sign Ambiguities in ABPX Spectra.- References.

巻冊次

vol. 6 : gw ISBN 9783540055327

内容説明

Nuclear magnetic resonance spectroscopy, which has evolved only within the last 20 years, has become one of the very important tools in chemistry and physics. The literature on its theory and application has grown immensely and a comprehensive and adequate treatment ofall branches by one author, or even by several, becomes increasingly difficult. by experts workinginvarious This seriesis planned to present articles written fields of nuclear magnetic resonance spectroscopy, and will contain review articles as well as progress reports and original work. Its main aim, however, is to fill a gap, existing in literature, by publishing articles written by specialists, which take the reader from the introductory stage to the latest development in the field. The editors are grateful to the authors for the time and effort spent in writing the articles, and for their invaluable cooperation. The Editors Computer Assistance in the Analysis of High-Resolution NMR Spectra P. DIEHL and H. KELLERHALS Departmentof Physics, University ofBasle, Switzerland E. LUSTIG Food and Drug Administration, Washington, D.C., U.S.A.

目次

Foreword.- Notation and Symbols.- A. The Calculation of an NMR Spectrum.- A.1. Some Postulates of Quantum Mechanics.- A.2. Quantum Mechanics of a Spin System.- A.2.1. The High-Resolution NMR Hamiltonian Operator.- A.2.2. Spin Functions.- A.3. Representation of Operators.- A.3.1. Representation of an Operator O by a Matrix.- A.3.2. Effect of Spin Operators I on Spin Functions.- A.3.3. Representation of the Hamiltonian Operator ?.- A.3.4. Some Properties of the Matrix ?.- A.3.5. Representation of the Lowering Operator I_ 14.- A.3.6. Expansion of Wave Functions.- A.3.7. Basis Transformations.- A.4. Solution of the Schrodinger Equation.- A.4.1. Representation of the Schrodinger Equation by Vectors and Matrices.- A.4.2. Example: The Two-Spin System.- A.5. The Schrodinger Equation as a Basis Transformation.- A.6. Calculation of a Normal Spectrum.- A.6.1. Transition Frequencies.- A.6.2. Transition Intensities.- A.6.3. The Spectrum.- A.7. Breakdown of Hamiltonian Matrices.- A.7.1. Breakdown with Simple Product Spin Functions: Weak Coupling.- A.7.2. Breakdown with Linear Combinations of Product Spin Functions.- B. Analysis of Spectra, Unaided by a Computer.- B.1. "Hand" Methods of Analysis.- B.2. Determination of Starting Parameters for Computer-Aided Analysis.- C. Basic Computer Methods.- C.1. Simulation Programs.- C.2. Basic Iterative Programs.- C.2.1. The Swalen=Reilly Method.- C.2.2. The Hoffman Method.- C.2.3. The Granger Method.- C.2.4. The Castellano=Bothner-By/Braillon Method (Programs LAOCN3 and SUPERMAN).- C.2.5. The Arata=Shimizu=Fujiwara Method.- C. 3. Auxiliary Methods.- C.3.1. Spectral Decomposition (Program DECOMP).- C.3.2. Spectral Assignment (Program ASSIGN).- D. Developments of the Basic Computer Programs.- D.1. Developments of the Swalen=Reilly Programs.- D.1.1. Magnetic Equivalence Factoring.- D.1.2. "Missing" Energy Levels (Program NMREN2). A Unified Swalen=Reilly Method (Program NMRENIT).- D.1.3. Complete Analysis by the Lusebrink Method (Program DENOUE).- D. 2. Developments of the Castellano-Bothner-By/Braillon Method.- D.2.1. Magnetic Equivalence Factoring.- D.2.2. Weak Coupling, Symmetry Factoring. Weighting of Observables and Printout of Derivatives.- D.2.3. Analysis of Spectra of Partially Oriented Molecules.- (Programs LAOCOONOR. LAOCOONORW and LEQUOR).- E. Parameter Errors.- E.1. Description of Errors.- E.2. Significance of Covariances.- E.3. Incomplete Description of Errors.- E.4. Calculation of Errors in the Swalen=Reilly Method as Modified by FERGUSON and MARQUARDT.- E. 5. Calculation of Errors in the Castellano=Bothner-By Method and its Modifications.- F. Uniqueness of Solutions.- F.1. The Number of ELD's Derived from an Experimental Spectrum.- F.2. The Number of Parameter Sets Derived from an ELD.- F.3. The Number of Assigned Transitions Necessary for a Solution.- G. Comparison of the Iterative Methods.- G.1. Mathematical Structure and Convergence.- G.2. Computational Effort per Iteration Cycle.- G.3. Prior Knowledge of Parameters.- G.4. Conclusions.- H. Computer Assistance in NMR Studies of Rate Processes.- H.1. The Calculation of Spectra of Spin Systems Undergoing Rate Processes.- H.1.1. The Modified Bloch Equations.- H.1.2. The Density Matrix Treatment of Exchange.- H.1.3. The Unified Theory of Exchange.- H. 2. Computer Programs for Spectra of Spin Systems Undergoing Rate Processes.- H.2.1. Early Programs.- H.2.2. The Programs DNMR.- H.2.3. Computer Programs for the Study of Quadrupolar Relaxation.- I. Double Resonance.- I. 1. The Effects of Double Irradiation on NMR Spectra.- I.2. Simulation of Double Resonance Spectra (Program NMDRS).- V. Vectors and Matrices.- V.1. Vectors.- V.2. Matrices.- V.3. Operations with Matrices.- V.4. Some Rules of Matrix Algebra.- W. Diagonalization of Symmetrical Matrices.- W.1. Orthogonal Transformations.- W.2. Diagonalization of Symmetric Matrices.- W.3. The Jacobi Method.- W.4. Diagonalization via the Tridiagonal Form.- X. Least-Squares Fitting.- X.1. The Fitting Problem.- X.2. Linearization of the Fitting Problem.- X.3. The Normal Equations.- X.4. Iteration.- Y. Parameter Errors from Least-Squares Fits.- Y.1. Some Concepts from Statistics.- Y.2. The Variance-Covariance Matrix and Experimental Errors.- Y.3. Propagation of Errors.- Y.3.1. Errors of Parameters Obtained by Least-Squares Methods, Determined with Approximate Derivatives.- Y.3.2. Rigorous Calculation of the Derivatives for the Determination of Parameter Errors.- Y.4. Calculation of Linear Combinations of Parameters, Leading to Extreme Errors.- Z. The Density Matrix.- Z.1. Basic Concepts.- Z.2. Calculation of Expectation Values of an Operator.- Z.3. The Equation of Motion for ?.- Acknowledgments.- References.

巻冊次

vol. 7 : gw ISBN 9783540056874

内容説明

Nuclear magnetic resonance spectroscopy, which has evolved only within the last 20 years, has become one of the very important tools in chemistry and physics. The literature on its theory and application has grown immensely and a comprehensive and adequate treatment of all branches by one author, or even by several, becomes increasingly difficult. This series is planned to present articles written by experts working in various fields of nuclear magnetic resonance spectroscopy, and will contain review articles as well as progress reports and original work. Its main aim, however, is to fill a gap, existing in literature, by publishing articles written by specialists, which take the reader from the introductory stage to the latest development in the field. The editors are grateful to the authors for the time and effort spent in writing the articles, and for their invaluable cooperation. The Editors Contents c. W. Hilbers and C. MacLean NMR of Molecules Oriented in Electric Fields.

目次

NMR of Molecules Oriented in Electric Fields.- Nuclear Magnetic Resonance and Relaxation of Molecules Adsorbed on Solids.

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詳細情報

• NII書誌ID(NCID): BA05267715
• ISBN:
  • 3540053921
  • 0387053921
  • 3540052216
  • 0387052216
  • 3540054278
  • 0387054278
  • 3540055320
  • 0387055320
  • 3540056874
  • 0387056874
• 出版国コード: gw
• タイトル言語コード: eng
• 本文言語コード: engger
• 出版地: Berlin ; New York
• ページ数/冊数: v.
• 大きさ: 24cm