Principles of Nuclear Magnetic Resonance in One and Two Dimensions
|
|
- Joanna Gray
- 6 years ago
- Views:
Transcription
1 Principles of Nuclear Magnetic Resonance in One and Two Dimensions Richard R. Ernst, Geoffrey Bodenhausen, and Alexander Wokaun Laboratorium für Physikalische Chemie Eidgenössische Technische Hochschule Zürich CLARENDON PRESS OXFORD
2 CONTENTS SYMBOLS, TRANSFORMATIONS, AND ABBREVIATIONS xix 1. INTRODUCTION 1 2. THE DYNAMICS OF NUCLEAR SPIN SYSTEMS Equation of motion Density operator Density operator equation Expectation values Schrödinger and Heisenberg representation Reduced spin density operator Explicit matrix representation of the master equations Liouville operator space Superoperators Commutator superoperators Unitary transformation superoperators Projection superoperators General representation of superoperators Matrix representation of a superoperator Eigenvalues and eigenoperators of superoperators Superoperator algebra Products of Cartesian spin operators Systems of spins l = \ Systems containing spins S > \ Products involving shift operators Polarization operators Cartesian single-transition operators Single-transition shift operators Irreducible tensor operators Coherence transfer The nuclear spin Hamiltonian Interactions of nuclear spins Interactions linear in the spin operators Interactions bilinear in the spin operators Interactions quadratic in the spin operators The relaxation superoperator Semi-classical relaxation theory Restriction to secular contributions Extreme narrowing Matrix representation of the relaxation superoperator Specific relaxation mechanisms First-rank relaxation mechanisms Second-rank relaxation mechanisms Spin dynamics due to chemical reactions Description of reaction networks in classical kinetics 58
3 Xll CONTENTS Exchange in systems without spin-spin couplings Modified Bloch equations for first-order reactions Higher-order reactions for spin systems without spin-spin couplings Density operator description of exchanging systems with spin-spin couplings Density operator equation and exchange superoperator for first-order reactions MANIPULATION OF NUCLEAR SPIN HAMILTONIANS The tools for manipulations Average Hamiltonian theory _ Exact calculation of Ж Cumulant expansion of the propagator Averaging by time-dependent perturbations Truncation of internal Hamiltonians Floquet theory Average Hamiltonian due to aperiodic perturbations General condition for an average Hamiltonian Average Hamiltonian in spin-echo experiments Cancellation of irrelevant terms ONE-DIMENSIONAL FOURIER SPECTROSCOPY Response theory Linear response theory Time and frequency domains Linear data-processing Apodization Resolution enhancement Non-linear response theory Quantum-mechanical response theory Stochastic response theory Classical description of Fourier spectroscopy Bloch equations in the rotating frame Ideal pulse experiment Off-resonance effects due to finite pulse amplitude Longitudinal interference in repetitive pulse experiments Transverse interference in repetitive pulse experiments Remedies for phase and intensity anomalies due to transverse interference Quenching of transverse magnetization by magnetic field gradient pulses Scrambling of transverse interference by random pulse intervals Quadriga Fourier spectroscopy Four-phase Fourier spectroscopy Phase-alternated pulse sequences 133
4 CONTENTS хш Remedies for anomalies due to non-ideal pulses: composite pulses Minimum residual M z component after а лг/2- pulse Minimum phase dispersion of transverse magnetization after a лг/2-pulse Accurate inversion: sequences optimized by calculation of trajectories Recursive expansion procedures Accurate refocusing Composite z-pulses Cyclic composite pulses Sensitivity of Fourier spectroscopy Signal-to-noise ratio of Fourier spectra The signal The noise The sensitivity Optimization of the weighting function Optimization of the signal energy Signal-to-noise ratio in slow-passage spectra Sensitivity comparison of Fourier and slow-passage experiments Sensitivity enhancement by recycling of magnetization Quantum-mechanical description of Fourier spectroscopy Density operator formalism applied to Fourier spectroscopy Equivalence of slow-passage and Fourier spectroscopy Fourier spectroscopy Slow-passage spectroscopy Comparison of Fourier and slow-passage spectra Fourier spectroscopy of non-equilibrium systems Selective and semi-selective pulses Identification of the terms in the density operator Composite rotations Intervals with a central refocusing pulse Bilinear rotations with transverse components Sequences without 'sandwich symmetry' Phase cycles Phase shifts and r.f. rotation angles Heteronuclear systems Heteronuclear polarization transfer Transfer of spin order Polarization transfer by nuclear Overhauser effect Cross-polarization in the rotating frame Adiabatic polarization transfer Polarization transfer by radio-frequency pulses Editing procedures based on polarization transfer Investigation of dynamic processes, relaxation, and chemical exchange 201
5 XIV CONTENTS Longitudinal relaxation Inversion recovery methods Saturation recovery methods Progressive saturation Selective perturbations Transverse relaxation Chemical reactions and exchange processes One-sided first-order reaction Two-sided first-order reaction Transient chemical reactions with coupled spin systems Experimental preparation of chemical nonequilibrium states Fourier double resonance Theoretical formulation of Fourier double resonance Double-resonance irradiation during detection Continuous Fourier double resonance Fourier double resonance of two coupled spins 7=1/ Strong coupling Weak coupling Spin tickling Spin decoupling treated by average Hamiltonian theory Heteronuclear spin decoupling Off-resonance decoupling Time-shared decoupling Broadband decoupling and scaling of heteronuclear interactions Multiple-pulse decoupling techniques Scaling of heteronuclear couplings Illusions of decoupling MULTIPLE-QUANTUM TRANSITIONS Number of transitions Detection of multiple-quantum transitions by continuous-wave NMR " Intensity of multiple-quantum transitions Saturation of multiple-quantum transitions Level shift of multiple-quantum transitions Line-widths of multiple-quantum transitions Applications of CW multiple-quantum NMR Time-domain multiple-quantum spectroscopy Excitation and detection of multiple-quantum coherence Non-selective pulses Selective single-quantum pulses Selective multiple-quantum pulses Spin-connectivity selective excitation Selective excitation of specific orders Offset-dependence of multiple-quantum frequencies and separation of orders Structure of multiple-quantum spectra Multiple-quantum double resonance 273
6 CONTENTS xv 5.4. Relaxation of multiple-quantum coherence Correlated external random fields Quadrupolar relaxation Measurement of multiple-quantum relaxation rates and effects of magnetic field inhomogeneity 278 TWO-DIMENSIONAL FOURIER SPECTROSCOPY Basic principles Formal theory of two-dimensional spectroscopy Explicit matrix representation Expansion of the density operator in single-transition operators Coherence transfer pathways Selection of pathways Multiple transfer Two-dimensional Fourier transformation Properties of the complex two-dimensional Fourier transformation Vector notation Similarity theorem Convolution theorem Power theorem Projection cross-section theorem Kramers-Kronig relations in two dimensions Hypercomplex two-dimensional Fourier transformation Peak shapes in two-dimensional spectra Basic peakshapes Inhomogeneous broadening and interference of neighbouring peaks Techniques for obtaining pure two-dimensional absorption peaks Real Fourier transformation in г, Time-reversal in a complementary experiment Combination of two experiments in quadrature Absolute-value spectra Projections of two-dimensional spectra Two-dimensional filtering Matched filter Lorentz-Gauss transformation Pseudo-echo transformation Manipulations of two-dimensional spectra Shearing transformations Delayed acquisition Time-proportional phase increments Symmetrization Pattern recognition Single-channel detection Operator terms and multiplet structures in two-dimensional spectra Sensitivity of two-dimensional spectra The signal envelope 349
7 XVI CONTENTS Thermal noise and fj-noise Sensitivity Comparison of the sensitivities of one- and twodimensional experiments Optimization of two-dimensional experiments Low resolution in the (Wj-domain High resolution in the»^domain Practical recommendations 357 TWO-DIMENSIONAL SEPARATION OF INTERACTIONS Basic principles Separation of chemical shifts and scalar couplings in isotropic phase Homonuclear systems Two-dimensional separation in heteronuclear systems Separation of 5-spin multiplets and 5-spin chemical shifts Removal of the chemical shifts from the (о г - domain by shearing of the two-dimensional spectrum Separation of 5-spin multiplets vs. 5-spin chemical shifts by refocusing and gated coupling Separation of 5-spin multiplets vs. 5-spin chemical shifts by refocusing and inversion of / nuclei Separation of 5-spin multiplets due to coupling to a selected /-spin vs. 5-spin chemical shifts Separation of long-range IS couplings vs. 5-spin chemical shifts 370 7'.2.2.7'. Separation of one-bond IS couplings vs. 5-spin chemical shifts Artefacts Pure two-dimensional absorption Strong coupling effects in refocusing experiments Echo modulation by non-resonant nuclei Separation of chemical shifts and dipolar couplings in oriented phase Homonuclear separated local field spectra Heteronuclear separated local field spectra Correlation of chemical shielding and dipolar coupling tensors in static powders Full simulation of powder spectra Ridge plots Separation of Ж 15 and Ж 25 under magic-angle spinning conditions Separation of isotropic and anisotropic chemical shifts Rotation-synchronized pulses Synchronous sampling with scaling Magic-angle flipping Magic-angle hopping 399
8 CONTENTS xvii TWO-DIMENSIONAL CORRELATION METHODS BASED ON COHERENCE TRANSFER Coherence transfer in two-dimensional correlation spectroscopy: amplitudes and selection rules Homonuclear two-dimensional correlation spectroscopy Weakly coupled two-spin systems Applications to complicated spectra Connectivity and multiplet effects in weakly coupled systems Strong coupling in two-dimensional correlation spectroscopy Magnetic equivalence Modified two-dimensional correlation experiments Delayed acquisition: spin-echo correlation spectroscopy Constant-time correlation spectroscopy: (^-decoupling Filtering and editing Multiple-quantum filtering p-spin-filters Filtering according to coupling network connectivity Relayed coherence transfer Coherence transfer by an average Hamiltonian in total correlation spectroscopy Homonuclear two-dimensional multiple-quantum spectroscopy Excitation and detection of multiple-quantum coherence Double-quantum spectra of two-spin systems Multiple-quantum spectra of scalar-coupled networks in isotropic phase Multiple-quantum spectra of dipole-coupled nuclei in anisotropic phase Double-quantum spectra of quadrupolar nuclei with 5 = 1 in anisotropic phase Heteronuclear coherence transfer Sensitivity considerations Coherence transfer pathways Heteronuclear two-dimensional correlation spectroscopy in isotropic phase Transfer of in-phase magnetization Broadband decoupling Decoupling by refocusing pulses Bilinear rotation decoupling Editing of heteronuclear correlation spectra Relayed heteronuclear correlation spectroscopy Heteronuclear correlation experiments involving double transfer Heteronuclear correlation in solids 485 DYNAMIC PROCESSES STUDIED BY TWO-DIMENSIONAL EXCHANGE SPECTROSCOPY Polarization transfer in one- and two-dimensional methods Selection of coherence transfer pathways 494
9 XVUl CONTENTS 9.3. Cross-relaxation and exchange in systems without resolved couplings Slow exchange Two-site systems Multiple-site exchange Two-dimensional exchange spectroscopy in coupled spin systems Density operator treatment Zero-quantum interference Longitudinal scalar or dipolar order Suppression of J cross-peaks Two-dimensional exchange difference spectroscopy Determination of rate constants by 'accordion' spectroscopy Cross-relaxation and nuclear Overhauser effects Intramolecular cross-relaxation Intramolecular cross-relaxation in a two-spin system Intramolecular cross-relaxation in a system with equivalent spins Intermolecular cross-relaxation Cross-relaxation in the slow-motion limit: applications to macromolecules Chemical exchange Indirect detection of longitudinal relaxation in multilevel spin systems Dynamic processes in solids NUCLEAR MAGNETIC RESONANCE IMAGING Classification of imaging techniques Sequential point techniques Sensitive point technique Field focusing NMR (FONAR) and topical NMR Sequential line technique Sensitive line or multiple sensitive point method Line scan technique Echo line imaging Sequential plane technique Projection-reconstruction technique Fourier imaging Spin-warp imaging Rotating-frame imaging Planar and multiplanar imaging Echo planar imaging Comparison of sensitivity and performance time of various imaging techniques Sensitivity Performance time 563 REFERENCES 565 INDEX 597
PROTEIN NMR SPECTROSCOPY
List of Figures List of Tables xvii xxvi 1. NMR SPECTROSCOPY 1 1.1 Introduction to NMR Spectroscopy 2 1.2 One Dimensional NMR Spectroscopy 3 1.2.1 Classical Description of NMR Spectroscopy 3 1.2.2 Nuclear
More informationSpin Dynamics Basics of Nuclear Magnetic Resonance. Malcolm H. Levitt
Spin Dynamics Basics of Nuclear Magnetic Resonance Second edition Malcolm H. Levitt The University of Southampton, UK John Wiley &. Sons, Ltd Preface xxi Preface to the First Edition xxiii Introduction
More informationCONTENTS. 2 CLASSICAL DESCRIPTION 2.1 The resonance phenomenon 2.2 The vector picture for pulse EPR experiments 2.3 Relaxation and the Bloch equations
CONTENTS Preface Acknowledgements Symbols Abbreviations 1 INTRODUCTION 1.1 Scope of pulse EPR 1.2 A short history of pulse EPR 1.3 Examples of Applications 2 CLASSICAL DESCRIPTION 2.1 The resonance phenomenon
More informationONE AND TWO DIMENSIONAL NMR SPECTROSCOPY
ONE AND TWO DIMENSIONAL NMR SPECTROSCOPY Atta-ur-Rahman H.E.J. Research Institute of Chemistry, University ofkarachi, Karachi 32, Pakistan ELSEVIER Amsterdam Oxford New York Tokyo 1989 IX CONTENTS Chapter-l
More informationPrinciples of Nuclear Magnetic Resonance Microscopy
Principles of Nuclear Magnetic Resonance Microscopy Paul T. Callaghan Department of Physics and Biophysics Massey University New Zealand CLARENDON PRESS OXFORD CONTENTS 1 PRINCIPLES OF IMAGING 1 1.1 Introduction
More informationHigh-Resolutio n NMR Techniques i n Organic Chemistry TIMOTHY D W CLARIDGE
High-Resolutio n NMR Techniques i n Organic Chemistry TIMOTHY D W CLARIDGE Foreword Preface Acknowledgements V VI I X Chapter 1. Introduction 1.1. The development of high-resolution NMR 1 1.2. Modern
More informationPrinciples of Magnetic Resonance
С. Р. Slichter Principles of Magnetic Resonance Third Enlarged and Updated Edition With 185 Figures Springer-Verlag Berlin Heidelberg New York London Paris Tokyo Hong Kong Contents 1. Elements of Resonance
More informationMagnetic Resonance Spectroscopy
INTRODUCTION TO Magnetic Resonance Spectroscopy ESR, NMR, NQR D. N. SATHYANARAYANA Formerly, Chairman Department of Inorganic and Physical Chemistry Indian Institute of Science, Bangalore % I.K. International
More informationTHE NUCLEAR OVERHAUSER EFFECT IN STRUCTURAL AND CONFORMATIONAL ANALYSIS
THE NUCLEAR OVERHAUSER EFFECT IN STRUCTURAL AND CONFORMATIONAL ANALYSIS David Neuhaus and Michael P. Williamson VCH CONTENTS Preface v Acknowledgments vii Symbols, Abbreviations, and Units xvii Introduction
More informationTHEORY OF MAGNETIC RESONANCE
THEORY OF MAGNETIC RESONANCE Second Edition Charles P. Poole, Jr., and Horacio A. Farach Department of Physics University of South Carolina, Columbia A Wiley-lnterscience Publication JOHN WILEY & SONS
More informationPRINCIPLES OF NONLINEAR OPTICAL SPECTROSCOPY
PRINCIPLES OF NONLINEAR OPTICAL SPECTROSCOPY Shaul Mukamel University of Rochester Rochester, New York New York Oxford OXFORD UNIVERSITY PRESS 1995 Contents 1. Introduction 3 Linear versus Nonlinear Spectroscopy
More informationT 1, T 2, NOE (reminder)
T 1, T 2, NOE (reminder) T 1 is the time constant for longitudinal relaxation - the process of re-establishing the Boltzmann distribution of the energy level populations of the system following perturbation
More informationNMR Spectroscopy: A Quantum Phenomena
NMR Spectroscopy: A Quantum Phenomena Pascale Legault Département de Biochimie Université de Montréal Outline 1) Energy Diagrams and Vector Diagrams 2) Simple 1D Spectra 3) Beyond Simple 1D Spectra 4)
More informationNMR course at the FMP: NMR of organic compounds and small biomolecules - II -
NMR course at the FMP: NMR of organic compounds and small biomolecules - II - 16.03.2009 The program 2/76 CW vs. FT NMR What is a pulse? Vectormodel Water-flip-back 3/76 CW vs. FT CW vs. FT 4/76 Two methods
More informationAn introduction to Solid State NMR and its Interactions
An introduction to Solid State NMR and its Interactions From tensor to NMR spectra CECAM Tutorial September 9 Calculation of Solid-State NMR Parameters Using the GIPAW Method Thibault Charpentier - CEA
More informationSlow symmetric exchange
Slow symmetric exchange ϕ A k k B t A B There are three things you should notice compared with the Figure on the previous slide: 1) The lines are broader, 2) the intensities are reduced and 3) the peaks
More informationDesign strategies for pulse sequences in multidimensional optical spectroscopies
JOURNAL OF CHEMICAL PHYSICS VOLUME 115, NUMBER 11 15 SEPTEMBER 2001 Design strategies for pulse sequences in multidimensional optical spectroscopies C. Scheurer a) and S. Mukamel b) Department of Chemistry,
More informationCross Polarization 53 53
Cross Polarization 53 Why don t we normally detect protons in the solid-state BPTI Strong couplings between protons ( >20kHz) Homogeneous interaction Not readily averaged at moderate spinning speeds Rhodopsin
More information12 Understanding Solution State NMR Experiments: Product Operator Formalism
12 Understanding Solution State NMR Experiments: Product Operator Formalism As we saw in the brief introduction in the previous chapter, solution state NMR pulse sequences consist of building blocks. Product
More informationIntroduction to 1D and 2D NMR Spectroscopy (4) Vector Model and Relaxations
Introduction to 1D and 2D NMR Spectroscopy (4) Vector Model and Relaxations Lecturer: Weiguo Hu 7-1428 weiguoh@polysci.umass.edu October 2009 1 Approximate Description 1: Energy level model Magnetic field
More informationPrincipios Básicos de RMN en sólidos destinado a usuarios. Gustavo Monti. Fa.M.A.F. Universidad Nacional de Córdoba Argentina
Principios Básicos de RMN en sólidos destinado a usuarios Gustavo Monti Fa.M.A.F. Universidad Nacional de Córdoba Argentina CONTENIDOS MODULO 2: Alta resolución en sólidos para espines 1/2 Introducción
More information14. Coherence Flow Networks
14. Coherence Flow Networks A popular approach to the description of NMR pulse sequences comes from a simple vector model 1,2 in which the motion of the spins subjected to RF pulses and chemical shifts
More informationGeneral NMR basics. Solid State NMR workshop 2011: An introduction to Solid State NMR spectroscopy. # nuclei
: An introduction to Solid State NMR spectroscopy Dr. Susanne Causemann (Solid State NMR specialist/ researcher) Interaction between nuclear spins and applied magnetic fields B 0 application of a static
More informationFiltered/edited NOESY spectra
Filtered/edited NOESY spectra NMR Seminar HS 207 Nina Ripin 22..7 Overview NMR of biomolecular complexes Problems and Solutions Filtered/edited nomenclature Experimental elements NOESY vs filtered pulse
More informationSpectroscopy of Polymers
Spectroscopy of Polymers Jack L. Koenig Case Western Reserve University WOMACS Professional Reference Book American Chemical Society, Washington, DC 1992 Contents Preface m xiii Theory of Polymer Characterization
More informationAdvanced Quadrupolar NMR. Sharon Ashbrook School of Chemistry, University of St Andrews
Advanced Quadrupolar NMR Sharon Ashbrook School of Chemistry, University of St Andrews Quadrupolar nuclei: revision single crystal powder ST 500 khz ST ω 0 MAS 1 khz 5 khz second-order broadening Example:
More informationATOMIC AND LASER SPECTROSCOPY
ALAN CORNEY ATOMIC AND LASER SPECTROSCOPY CLARENDON PRESS OXFORD 1977 Contents 1. INTRODUCTION 1.1. Planck's radiation law. 1 1.2. The photoelectric effect 4 1.3. Early atomic spectroscopy 5 1.4. The postulates
More informationBasic One- and Two-Dimensional NMR Spectroscopy
Horst Friebolin Basic One- and Two-Dimensional NMR Spectroscopy Third Revised Edition Translated by Jack K. Becconsall WILEY-VCH Weinheim New York Chichester Brisbane Singapore Toronto Contents XV 1 The
More informationCarbon 13 NMR NUCLEAR MAGNETIC RESONANCE SPECTROSCOPY
NUCLEAR MAGNETIC RESONANCE SPECTROSCOPY PRINCIPLE AND APPLICATION IN STRUCTURE ELUCIDATION Carbon 13 NMR Professor S. SANKARARAMAN Department of Chemistry Indian Institute of Technology Madras Chennai
More informationSolid-state NMR and proteins : basic concepts (a pictorial introduction) Barth van Rossum,
Solid-state NMR and proteins : basic concepts (a pictorial introduction) Barth van Rossum, 16.02.2009 Solid-state and solution NMR spectroscopy have many things in common Several concepts have been/will
More informationDouble-Resonance Experiments
Double-Resonance Eperiments The aim - to simplify complicated spectra by eliminating J-couplings. omonuclear Decoupling A double resonance eperiment is carried out using a second rf source B 2 in addition
More informationPhysikalische Chemie IV (Magnetische Resonanz) HS Solution Set 2. Hand out: Hand in:
Solution Set Hand out:.. Hand in:.. Repetition. The magnetization moves adiabatically during the application of an r.f. pulse if it is always aligned along the effective field axis. This behaviour is observed
More informationBand-Selective Homonuclear 2D Correlation Experiments
Band-Selective Homonuclear 2D Correlation Experiments Application Note Authors Péter Sándor Agilent Technologies GmbH D76337 Waldbronn Germany Abstract This application note demonstrates the utility of
More informationProblem Set #6 BioE 326B/Rad 226B
. Chemical shift anisotropy Problem Set #6 BioE 26B/Rad 226B 2. Scalar relaxation of the 2 nd kind. 0 imaging 4. NMRD curves Chemical Shift Anisotropy The Hamiltonian a single-spin system in a magnetic
More information4. Basic Segments of Pulse Sequences
4. Basic egments of Pulse equences The first applications of 2D NMR for studies of proteins in aqueous solution used only very few pulse sequences [5 7]. Today, a vast number of experimental schemes exist
More informationNMR: PRACTICAL ASPECTS
NMR: PRACTICAL ASPECTS Pedro M. Aguiar Sample Preparation Well prepared sample can yield high quality spectra Poorly prepared sample typically yields low quality spectra Tubes of appropriate quality Higher
More informationELECTRON PARAMAGNETIC RESONANCE Elementary Theory and Practical Applications
ELECTRON PARAMAGNETIC RESONANCE Elementary Theory and Practical Applications Second Edition JOHN A. WElL Department of Chemistry, University of Saskatchewan, Saskatoon, Saskatchewan, S7N OWO Canada JAMES
More informationSuperoperators for NMR Quantum Information Processing. Osama Usman June 15, 2012
Superoperators for NMR Quantum Information Processing Osama Usman June 15, 2012 Outline 1 Prerequisites 2 Relaxation and spin Echo 3 Spherical Tensor Operators 4 Superoperators 5 My research work 6 References.
More information4 Spin-echo, Spin-echo Double Resonance (SEDOR) and Rotational-echo Double Resonance (REDOR) applied on polymer blends
4 Spin-echo, Spin-echo ouble Resonance (SEOR and Rotational-echo ouble Resonance (REOR applied on polymer blends The next logical step after analyzing and concluding upon the results of proton transversal
More informationBiophysical Chemistry: NMR Spectroscopy
Relaxation & Multidimensional Spectrocopy Vrije Universiteit Brussel 9th December 2011 Outline 1 Relaxation 2 Principles 3 Outline 1 Relaxation 2 Principles 3 Establishment of Thermal Equilibrium As previously
More information4 DQF-COSY, Relayed-COSY, TOCSY Gerd Gemmecker, 1999
44 4 DQF-COSY, Relayed-COSY, TOCSY Gerd Gemmecker, 1999 Double-quantum filtered COSY The phase problem of normal COSY can be circumvented by the DQF-COSY, using the MQC term generated by the second 90
More informationClassical behavior of magnetic dipole vector. P. J. Grandinetti
Classical behavior of magnetic dipole vector Z μ Y X Z μ Y X Quantum behavior of magnetic dipole vector Random sample of spin 1/2 nuclei measure μ z μ z = + γ h/2 group μ z = γ h/2 group Quantum behavior
More informationTable of Contents. Chapter 1 lntroduction and Practical Considerations of Two-Dimensional. Chapter 2 Establishing Proton-Proton Connectivities
Table of Contents Chapter 1 lntroduction and Practical Considerations of Two-Dimensional NMR Spectroscopy lntroduction Fundamental Segments of Two-Dimensional NMR Experiments Preparation Evolution Mixing
More informationSSSC Discovery Series NMR2 Multidimensional NMR Spectroscopy
SSSC Discovery Series NMR2 Multidimensional NMR Spectroscopy Topics: 1. Some Common Experiments 2. Anatomy of a 2D experiment 3. 3D NMR spectroscopy no quantum mechanics! Some Common 2D Experiments Very
More informationSpin Relaxation and NOEs BCMB/CHEM 8190
Spin Relaxation and NOEs BCMB/CHEM 8190 T 1, T 2 (reminder), NOE T 1 is the time constant for longitudinal relaxation - the process of re-establishing the Boltzmann distribution of the energy level populations
More informationMR Fundamentals. 26 October Mitglied der Helmholtz-Gemeinschaft
MR Fundamentals 26 October 2010 Mitglied der Helmholtz-Gemeinschaft Mitglied der Helmholtz-Gemeinschaft Nuclear Spin Nuclear Spin Nuclear magnetic resonance is observed in atoms with odd number of protons
More informationSelective Rotations Using Non-Selective Pulses and Heteronuclear Couplings
Vol. 16, No. 1/2 49 Selective Rotations Using Non-Selective Pulses and Heteronuclear Couplings Ole Winneche S0rensen Novo Nordisk, 2880 Bagsvterd, Denmark Contents I. Introduction 49 II. Heteronuclear
More informationAccelerator Physics. Tip World Scientific NEW JERSEY LONDON SINGAPORE BEIJING SHANGHAI HONG KONG TAIPEI BANGALORE. Second Edition. S. Y.
Accelerator Physics Second Edition S. Y. Lee Department of Physics, Indiana University Tip World Scientific NEW JERSEY LONDON SINGAPORE BEIJING SHANGHAI HONG KONG TAIPEI BANGALORE Contents Preface Preface
More informationThe NMR Spectrum - 13 C. NMR Spectroscopy. Spin-Spin Coupling 13 C NMR. A comparison of two 13 C NMR Spectra. H Coupled (undecoupled) H Decoupled
Spin-Spin oupling 13 NMR A comparison of two 13 NMR Spectra 1 oupled (undecoupled) 1 Decoupled 1 Proton Decoupled 13 NMR 6. To simplify the 13 spectrum, and to increase the intensity of the observed signals,
More informationNUCLEAR MAGNETIC RESONANCE. Introduction. Vol. 10 NUCLEAR MAGNETIC RESONANCE 637
Vol. 10 NUCLEAR MAGNETIC RESONANCE 637 NUCLEAR MAGNETIC RESONANCE Introduction An important objective in materials science is the establishment of relationships between the microscopic structure or molecular
More informationDirect dipolar interaction - utilization
Direct dipolar interaction - utilization Two main uses: I: magnetization transfer II: probing internuclear distances Direct dipolar interaction - utilization Probing internuclear distances ˆ hetero D d
More informationCHEM / BCMB 4190/6190/8189. Introductory NMR. Lecture 10
CHEM / BCMB 490/690/889 Introductory NMR Lecture 0 - - CHEM 490/690 Spin-Echo The spin-echo pulse sequence: 90 - τ - 80 - τ(echo) Spins echoes are widely used as part of larger pulse sequence to refocus
More information8.2 The Nuclear Overhauser Effect
8.2 The Nuclear Overhauser Effect Copyright Hans J. Reich 2016 All Rights Reserved University of Wisconsin An important consequence of DD relaxation is the Nuclear Overhauser Effect, which can be used
More informationChapter 2 Multiple Quantum NMR
Chapter 2 Multiple Quantum NMR In the following sections, we want to elucidate the meaning of multiple quantum (MQ) coherence in the special case of dipolar coupled spin- 1 / 2 systems, and to illustrate
More informationSideband Patterns from Rotor-Encoded Longitudinal Magnetization in MAS Recoupling Experiments
Journal of Magnetic Resonance 146, 140 156 (2000) doi:10.1006/jmre.2000.2119, available online at http://www.idealibrary.com on Sideband Patterns from Rotor-Encoded Longitudinal Magnetization in MAS Recoupling
More informationTwo-Dimensional NMR Spectroscopy
Two-Dimensional NMR Spectroscopy Applications for Chemists and Biochemists Second Edition Expanded and Updated to Include Multidimensional Work EDITED BY William R. Croasmun and Robert M. K. Carlson VCH
More informationChemistry 431. Lecture 23
Chemistry 431 Lecture 23 Introduction The Larmor Frequency The Bloch Equations Measuring T 1 : Inversion Recovery Measuring T 2 : the Spin Echo NC State University NMR spectroscopy The Nuclear Magnetic
More informationChapter 7. Nuclear Magnetic Resonance Spectroscopy
Chapter 7 Nuclear Magnetic Resonance Spectroscopy I. Introduction 1924, W. Pauli proposed that certain atomic nuclei have spin and magnetic moment and exposure to magnetic field would lead to energy level
More informationSpin-spin coupling I Ravinder Reddy
Spin-spin coupling I Ravinder Reddy Spin-interactions External interactions Magnetic field Bo, RF field B1 Internal Interactions Molecular motions Exchange Chemical shifts J-coupling Spin Diffusion Dipolar
More informationIt is possible to choose the temperature for each experiment by setting a temperature under the Temp pane (under the Standard panel).
1 2 The study queue gives a lot of flexibility for lining up experiments: they can be run at different temperatures or at different times. You must respect the instrument limits: do not submit experiments
More informationList of Comprehensive Exams Topics
List of Comprehensive Exams Topics Mechanics 1. Basic Mechanics Newton s laws and conservation laws, the virial theorem 2. The Lagrangian and Hamiltonian Formalism The Lagrange formalism and the principle
More informationNMR Spectroscopy of Polymers
UNESCO/IUPAC Course 2005/2006 Jiri Brus NMR Spectroscopy of Polymers Brus J 1. part At the very beginning the phenomenon of nuclear spin resonance was studied predominantly by physicists and the application
More informationIndex. p, lip, 78 8 function, 107 v, 7-8 w, 7-8 i,7-8 sine, 43 Bo,94-96
p, lip, 78 8 function, 107 v, 7-8 w, 7-8 i,7-8 sine, 43 Bo,94-96 B 1,94-96 M,94-96 B oro!' 94-96 BIro!' 94-96 I/r, 79 2D linear system, 56 2D FFT, 119 2D Fourier transform, 1, 12, 18,91 2D sinc, 107, 112
More informationKay Saalwächter and Hans W. Spiess b) Max-Planck-Institute for Polymer Research, Postfach 3148, D Mainz, Germany
JOURNAL OF CHEMICAL PHYSICS VOLUME 114, NUMBER 13 1 APRIL 2001 Heteronuclear 1 H 13 C multiple-spin correlation in solid-state nuclear magnetic resonance: Combining rotational-echo double-resonance recoupling
More informationτ 1 > 1/J - if this lifetime is significantly shortened, the coupling (splitting of the signal) will not be observed
It is often advantageous to reverse or remove the splitting caused by spin-spin coupling This is called spin decoupling Spin decoupling (or just decoupling) can be used for several reasons - to simplify
More informationControl Theory in Physics and other Fields of Science
Michael Schulz Control Theory in Physics and other Fields of Science Concepts, Tools, and Applications With 46 Figures Sprin ger 1 Introduction 1 1.1 The Aim of Control Theory 1 1.2 Dynamic State of Classical
More informationMore NMR Relaxation. Longitudinal Relaxation. Transverse Relaxation
More NMR Relaxation Longitudinal Relaxation Transverse Relaxation Copyright Peter F. Flynn 2017 Experimental Determination of T1 Gated Inversion Recovery Experiment The gated inversion recovery pulse sequence
More informationExperiment and Modelling in Structural NMR
EPJ Web of Conferences 30, 01001 (2012) DOI: 10.1051/epjconf/20123001001 Owned by the authors, published by EDP Sciences, 2012 Experiment and Modelling in Structural NMR November 28th December 2 nd 2011
More informationLong-lived spin echoes in magnetically diluted system: an NMR study of the Ge single crystals Alexander M. Panich,
Long-lived spin echoes in magnetically diluted system: an NMR study of the Ge single crystals Alexander M. Panich, Department of Physics, Ben-Gurion University of the Negev, Beer Sheva, Israel N. A. Sergeev,
More informationSolid-state NMR of spin > 1/2
Solid-state NMR of spin > 1/2 Nuclear spins with I > 1/2 possess an electrical quadrupole moment. Anisotropic Interactions Dipolar Interaction 1 H- 1 H, 1 H- 13 C: typically 50 khz Anisotropy of the chemical
More informationIntroduction to MRI. Spin & Magnetic Moments. Relaxation (T1, T2) Spin Echoes. 2DFT Imaging. K-space & Spatial Resolution.
Introduction to MRI Spin & Magnetic Moments Relaxation (T1, T2) Spin Echoes 2DFT Imaging Selective excitation, phase & frequency encoding K-space & Spatial Resolution Contrast (T1, T2) Acknowledgement:
More informationCOSY type experiments exploring through-bond homonuclear correlations
COSY type experiments exploring through-bond homonuclear correlations Assistant Professor Kenneth Kongstad Bioanalytical Chemistry and Metabolomics Research Group Section for Natural Products and Peptides
More informationV27: RF Spectroscopy
Martin-Luther-Universität Halle-Wittenberg FB Physik Advanced Lab Course V27: RF Spectroscopy ) Electron spin resonance (ESR) Investigate the resonance behaviour of two coupled LC circuits (an active rf
More informationP. W. Atkins and R. S. Friedman. Molecular Quantum Mechanics THIRD EDITION
P. W. Atkins and R. S. Friedman Molecular Quantum Mechanics THIRD EDITION Oxford New York Tokyo OXFORD UNIVERSITY PRESS 1997 Introduction and orientation 1 Black-body radiation 1 Heat capacities 2 The
More informationNuclear Magnetic Resonance Imaging
Nuclear Magnetic Resonance Imaging Jeffrey A. Fessler EECS Department The University of Michigan NSS-MIC: Fundamentals of Medical Imaging Oct. 20, 2003 NMR-0 Background Basic physics 4 magnetic fields
More informationTwo-dimensional Exchange and Nutation Exchange Nuclear Quadrupole Resonance Spectroscopy
Two-dimensional Exchange and Nutation Exchange Nuclear Quadrupole Resonance Spectroscopy M. Maćkowiak, N. Sinyavsky a, N. Velikite a, and D. Nikolaev a Institute of Molecular Physics, Polish Academy of
More informationLIST OF TOPICS BASIC LASER PHYSICS. Preface xiii Units and Notation xv List of Symbols xvii
ate LIST OF TOPICS Preface xiii Units and Notation xv List of Symbols xvii BASIC LASER PHYSICS Chapter 1 An Introduction to Lasers 1.1 What Is a Laser? 2 1.2 Atomic Energy Levels and Spontaneous Emission
More informationPhysical fundamentals of magnetic resonance imaging
Physical fundamentals of magnetic resonance imaging Stepan Sereda University of Bonn 1 / 26 Why? Figure 1 : Full body MRI scan (Source: [4]) 2 / 26 Overview Spin angular momentum Rotating frame and interaction
More informationEQUIVALENCE OF FOURIER SPECTROSCOPY AND SLOW PASSAGE IN NUCLEAR MAGNETIC RESONANCE
EQUIVALENCE OF FOURIER SPECTROSCOPY AND SLOW PASSAGE IN NUCLEAR MAGNETIC RESONANCE R. R. ERNST, W. P. AUF, E. I3ARTHOLDI, A. HOI-IENER and S. SCHAUBLIN Laborazorium fir Physikalische ('hemie, Eidg. Technische
More informationBiochemistry 530 NMR Theory and Practice
Biochemistry 530 NMR Theory and Practice Gabriele Varani Department of Biochemistry and Department of Chemistry University of Washington 1D spectra contain structural information.. but is hard to extract:
More informationThe NMR Inverse Imaging Problem
The NMR Inverse Imaging Problem Nuclear Magnetic Resonance Protons and Neutrons have intrinsic angular momentum Atoms with an odd number of proton and/or odd number of neutrons have a net magnetic moment=>
More informationNuclear magnetic resonance in condensed matter
University of Ljubljana Faculty of mathematics and physics Physics department SEMINAR Nuclear magnetic resonance in condensed matter Author: Miha Bratkovič Mentor: prof. dr. Janez Dolinšek Ljubljana, October
More informationLongitudinal-relaxation enhanced fast-pulsing techniques: New tools for biomolecular NMR spectroscopy
Longitudinal-relaxation enhanced fast-pulsing techniques: New tools for biomolecular NMR spectroscopy Bernhard Brutscher Laboratoire de Résonance Magnétique Nucléaire Institut de Biologie Structurale -
More informationSimulation and Optimal Design of. Nuclear Magnetic Resonance Experiments
Simulation and Optimal Design of Nuclear Magnetic Resonance Experiments SIMULATION AND OPTIMAL DESIGN OF NUCLEAR MAGNETIC RESONANCE EXPERIMENTS BY ZHENGHUA NIE, B.Sc. a thesis submitted to the School of
More informationCharge and Energy Transfer Dynamits in Molecular Systems
Volkhard May, Oliver Kühn Charge and Energy Transfer Dynamits in Molecular Systems Second, Revised and Enlarged Edition WILEY- VCH WILEY-VCH Verlag GmbH & Co. KGaA Contents 1 Introduction 19 2 Electronic
More informationInterferogram and real-time acquisition methods
Interferogram and real-time acquisition methods Peter Kiraly NMR Methodology Group, School of Chemistry, University of Manchester Workshop on Pure Shift NMR 2 th Sep 207 Outline Why are we interested in
More informationSingle-scan longitudinal relaxation measurements in high-resolution NMR spectroscopy
Journal of Magnetic Resonance 164 (2003) 321 328 www.elsevier.com/locate/jmr Single-scan longitudinal relaxation measurements in high-resolution NMR spectroscopy Nikolaus M. Loening, a, * Michael J. Thrippleton,
More informationTwo Dimensional (2D) NMR Spectroscopy
The two important parameters obtained from NMR spectra are; Two Dimensional (2D) NMR Spectroscopy py Correlation NMR a. Chemical shift b. Spin-spin coupling constant Large molecules with numerous atoms
More informationThe Raman Effect. A Unified Treatment of the Theory of Raman Scattering by Molecules. DerekA. Long
The Raman Effect A Unified Treatment of the Theory of Raman Scattering by Molecules DerekA. Long Emeritus Professor ofstructural Chemistry University of Bradford Bradford, UK JOHN WILEY & SONS, LTD Vll
More informationSpectral Broadening Mechanisms
Spectral Broadening Mechanisms Lorentzian broadening (Homogeneous) Gaussian broadening (Inhomogeneous, Inertial) Doppler broadening (special case for gas phase) The Fourier Transform NC State University
More informationChem8028(1314) - Spin Dynamics: Spin Interactions
Chem8028(1314) - Spin Dynamics: Spin Interactions Malcolm Levitt see also IK m106 1 Nuclear spin interactions (diamagnetic materials) 2 Chemical Shift 3 Direct dipole-dipole coupling 4 J-coupling 5 Nuclear
More informationElements of Quantum Optics
Pierre Meystre Murray Sargent III Elements of Quantum Optics Fourth Edition With 124 Figures fya Springer Contents 1 Classical Electromagnetic Fields 1 1.1 Maxwell's Equations in a Vacuum 2 1.2 Maxwell's
More informationNMR IMAGING OF SOLIDS WITH A SURFACE COIL. J.B. Miller and A.N. Garroway
NMR IMAGING OF SOLIDS WITH A SURFACE COIL J.B. Miller and A.N. Garroway Chemistry Division, Code 6120 Naval Research Laboratory Washington, D.C. 20375-5000 INTRODUCTION Nuclear magnetic resonance (NMR)
More informationNMR, the vector model and the relaxation
NMR, the vector model and the relaxation Reading/Books: One and two dimensional NMR spectroscopy, VCH, Friebolin Spin Dynamics, Basics of NMR, Wiley, Levitt Molecular Quantum Mechanics, Oxford Univ. Press,
More informationIntroduction to Relaxation Theory James Keeler
EUROMAR Zürich, 24 Introduction to Relaxation Theory James Keeler University of Cambridge Department of Chemistry What is relaxation? Why might it be interesting? relaxation is the process which drives
More informationUNESCO - EOLSS SAMPLE CHAPTER
NMR SPECTROSCOPY Juan Carlos Paniagua and Miquel Pons University of Barcelona, Spain Keywords: chemical shift, correlation spectroscopy, diffusion coefficient, Fourier transform spectroscopy, imaging,
More informationIntroduction to NMR Product Operators. C. Griesinger. Max Planck Institute for Biophysical Chemistry. Am Faßberg 11. D Göttingen.
ntroduction to NMR Product Operato C. Griesinger Max Planck nstitute for Biophysical Chemistry Am Faßberg 11 D-3777 Göttingen Germany cigr@nmr.mpibpc.mpg.de http://goenmr.de EMBO Coue Heidelberg Sept.
More informationCoherent isotropic averaging in zero-field nuclear magnetic resonance. II. Cubic sequences and time-reversal of spin couplings
Coherent isotropic averaging in zero-field nuclear magnetic resonance. II. Cubic sequences and time-reversal of spin couplings A. Llor, a) Z. Olejniczak, b) and A. Pines Materials Sciences Division, Lawrence
More informationA fast method for the measurement of long spin lattice relaxation times by single scan inversion recovery experiment
Chemical Physics Letters 383 (2004) 99 103 www.elsevier.com/locate/cplett A fast method for the measurement of long spin lattice relaxation times by single scan inversion recovery experiment Rangeet Bhattacharyya
More informationNMR-spectroscopy of proteins in solution. Peter Schmieder
NMR-spectroscopy of proteins in solution Basic aspects of NMR-Spektroskopie Basic aspects of NMR-spectroscopy 3/84 Prerequisite for NMR-spectroscopy is a nuclear spin that can be thought of as a mixture
More information