H NMR Studies of Molecular Dynamics. Basis Seminar on June 25th by Cornelius Friedrichs
|
|
- Emma Parker
- 6 years ago
- Views:
Transcription
1 2 H NMR Studies of Molecular Dynamics Basis Seminar on June 25th by Cornelius Friedrichs
2 Outline 1. IntroducDon to 2 H nuclei 2. MoDons 3. SimulaDon of 2 H spectra 4. Line shape analysis in 1D spectra 5. 2D spectra of deuterium 2
3 Comparing 1 H and 2 H proper%es 1 H 2 H atomic composidon atomic weight natural abundance spin u u % 0.015% gyromagnedc rado! 1 H = "107 rad s#t! 2 H = "107 rad s#t 3
4 Spin ProperDes Nuclei with spin possess an assymmetric charge I > 1 2 distribudon quadrupolar moment, which is Q = 2.8!10 "31 m 2 very small compared to other nuclei! Q = 140 " 220kHz for other nuclei the quadrupolar frequency is in the range of MHz 4
5 GyromagneDc RaDo Dipole dipole interacdons are propordonal to the product of the gammas for interacdng nuclei:! DD " # I # S dipole dipole interacdon very small for two 2 H (range of 100Hz) Quadrupolar interacdons are much stronger than dipole dipole interacdons 2 H solid state spectra are governed by quadrupolar interacdons 5
6 2 H for dynamic Studies Advantages: 1. quadrupolar interacdon endrely intramolecular 2. deuterons give very unique informadon 3. depending on the applied technique, the dynamic range is 10MHz to 1Hz 4. low natural abundance opens the possibility of selecdvity 6
7 How to describe MoDon? Markov model: hopping or exchange between N discrete sites!"#$$%&'!(%)*! +*,%-*&.*!(%)* hopping between very sharp and deep potendal wells no diffusion within the wells MoDons in solids are best described by an autocorreladon funcdon G: # & G (! ) = f ( t) f ( t +! ) G! $ % ' (!! c : "#$$%&'()#*!()+% ( ) = exp "!! c 7
8 SimulaDon of MoDons To analyse a concrete spectrum one has to know what modons occure within the spectrum Comparing experimental to simulated data is a common pracdce to calculate modonal parameters 8
9 Theory Stuff The Dme evoludon of the transversal magnedsadon M is given by a differendal equadon: +!,",t ( ) dm + dt = M + ( $1 i! (",#) + T ) 2 To include modons one has to add the exchange magne DzaDon between the N sites as a result of molecular hopping:! ij = " -1 c, ij p j! p : "#$%$&'(#)!#*!+'&', j j 9
10 Theory Stuff The equadon becomes then: dm + dt = M + ( i! + T "1 2 + #) The soludon of this equadon is averaged over all possible molecular orientadons: 2! $ 0! $ 0 M + = 1 M + 8! 2 0 (",#)L (",#,t )sin(" )d"d# ( ) = exp i#!," L!,",t ( )t + T 2 $1 t + % ( ) 10
11 Theory Stuff The FID is propordonal to the Dme dependent transversal magnedsadon: FID t N! i ( ) = M + i ( t) Combining the two equadons leads to: FID( t) = 1 2! & 0! & 0 ( ) ij sin (# ) % p 8! 2 j " L #,$,t d#d$ i, j 11
12 MoDonal Regimes DefiniDon of the rate constant: k = 1! c Assuming two hopping sites with frequency difference,!" one can disdnguish three kinds of modons 1. fast exchange limit: k!!" 2. intermediate exchange region: k! "# 3. slow exchange limit: k!!" 12
13 2 H Solid Echo In solids it is useful to apply the solid echo puls sequence 13
14 Factors Spectra depend on the orientadon (anisotropy parameter) and the shape (asymmetry parameter) of the spin interacdon tensors η Q = V yy V xx V zz! Q = 3 4 eqeq!! = 0.0! = 0.3! =
15 WebLab for 1D Spectra WebLab is an internet based simuladon socware where one can calculate spectra with different modon sites. Screen shots from WebLab 15
16 Cone Angle Dependence Two site hopping! = 40! = 60! = 80 16
17 Rate Constant Dependence Two site hopping k = 10kHz k = 10 3 khz k = 10 5 khz 17
18 Echo Time Dependence Two site hopping in the intermediate regime at 1000kHz! = 10µs! = 50µs! = 100µs 18
19 LimitaDons Line shape analysis has some limitadons 1. usually there are several fits 2. in complex systems there may be distribudons of correladon Dmes 3. Markov model is not sufficient for broad and shallow wells (no descrete sites) 19
20 2 H 2D NMR To get more informadon about slow modons (range of ms and slower) one can apply mulddimensional exchange experiments. 20
21 The Puls Sequence To obtain pure absorpdon spectra one has to record two datasets (quadrature detecdon) The transversal magnedzadon acer the sequence is then for both datasets: "#!!M + = M + 0 sin (! 1 )sin(! 2 )sin(! 3 )cos(" 1 t 1 )cos(" 2 t ) 2! $#!!M = M sin (! 0 4 1)sin( 2! 2 )sin( 2! 3 )sin(" 1 t 1 )sin " 2 t 2 sin (! 2 )sin(! ) 3 = 3 sin ( 2! 4 2 )sin( 2! ) 3 ( ) for! 2 =! 3 =
22 MoDons in 2D Spectra If a spin with frequency performs a modon, the! 1 frequencyacer the mixing Dme will change to a new! m value.! 2! 1 "! 2 for! c <! m This means that cross peaks appear in the spectrum If is much greater than there will be no exchange! c! m and all intensity is located on the diagonal! 1 =!! 2 for!! c m 22
23 Further Feature In 1D Spektra one only sees modons reladve to the Principal Axis Frame which is not known. 2D Spektra contain informadons about the Euler Angles ( ) for the transformadon of the modon.!!"!""!# The shape of the correlated spectrum gives informadon about the Euler Angels of the modon 23
24 WebLab for 2D Spectra WebLab can also calculate 2D spectra Screen shot from WebLab 24
25 Line Shapes in 2D Spectra If the asymmetry parameter there are simple! = 0 shapes that define the modon angle.! = 0! = 20! = 45! = 70! = 90 25
26 Asymmetry Dependence The asymmetry parameter may be and the spectra! > 0 change their shapes. is constant during a reorientadon. η! = 0! = 0.2! = 0.4! = 0.6! = 0.8! = 1 26
27 Angle Dependence For the asymmetry parameters the angles and! > 0 α γ become important! 1 =! 2 = 0.2! = 45! = 0! = 20! = 45! = 70! = 90 27
28 Conclusions The big goal of 2 H NMR for modons is the wide frequency range Line shape analyses are sufficient for simple systems For more complex systems one has to use other models Other techiques (not mendoned here) give further informadon about modon 2D NMR is a good tool to get the geometries of modons 28
29 Literature IntroducDon to Solid State NMR Spectroscopy by M. Duer, 1st EdiDon, Blackwell, 2004 MulDdimensional Solid State NMR by H. W. Spiess and K. Schmidt Rohr, 1st EdiDon, Academic Press, 1994 H. W. Spiess, Advances in Polymer Science, 1985, 66, hip://weblab.mpip mainz.mpg.de/weblab41/ weblab.html 29
30 Thanks for your aiendon!... my guess: 3 : 1 30
David Bowman and Seppo Pen<la ORNL
Chaos in Gravo- Magneto UCN Traps David Bowman and Seppo Pen
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 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 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 informationNMR: Formalism & Techniques
NMR: Formalism & Techniques Vesna Mitrović, Brown University Boulder Summer School, 2008 Why NMR? - Local microscopic & bulk probe - Can be performed on relatively small samples (~1 mg +) & no contacts
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 informationNMR Dynamics and Relaxation
NMR Dynamics and Relaxation Günter Hempel MLU Halle, Institut für Physik, FG Festkörper-NMR 1 Introduction: Relaxation Two basic magnetic relaxation processes: Longitudinal relaxation: T 1 Relaxation Return
More informationSpin Interactions. Giuseppe Pileio 24/10/2006
Spin Interactions Giuseppe Pileio 24/10/2006 Magnetic moment µ = " I ˆ µ = " h I(I +1) " = g# h Spin interactions overview Zeeman Interaction Zeeman interaction Interaction with the static magnetic field
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 informationNMR Studies of Polyethylene: Towards the Organization of Semi Crystalline Polymers
NMR Studies of Polyethylene: Towards the Organization of Semi Crystalline Polymers Yefeng Yao, Robert Graf, Hans Wolfgang Spiess Max-Planck-Institute for Polymer Research, Mainz, Germany Leibniz Institut
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 information8 NMR Interactions: Dipolar Coupling
8 NMR Interactions: Dipolar Coupling 8.1 Hamiltonian As discussed in the first lecture, a nucleus with spin I 1/2 has a magnetic moment, µ, associated with it given by µ = γ L. (8.1) If two different nuclear
More informationB! D (*) π + π - l - ν and prospects for measuring related decay modes
B! D (*) π + π - l - ν and prospects for measuring related decay modes Bob Kowalewski University of Victoria on behalf of the BaBar CollaboraDon 28 March 2017 Kowalewski - Nagoya 2017 1 Thank you to the
More informationTopics in SSNMR and Dynamics of Proteins: Consequences of Intermediate Exchange
Topics in SSNMR and Dynamics of Proteins: Consequences of Intermediate Exchange A McDermott, Columbia University Winter School in Biomolecular NMR, Stowe VT January 20-23 2008 Effects on NMR Spectra: Local,
More informationK ex. Conformational equilibrium. equilibrium K B
Effects of Chemical Exchange on NMR Spectra Chemical exchange refers to any yprocess in which a nucleus exchanges between two or more environments in which its NMR parameters (e.g. chemical shift, scalar
More informationGalaxies Astro 530 Prof. Jeff Kenney. CLASS 23 April 18, 2018 Luminosity FuncDons in Galaxies
Galaxies Astro 530 Prof. Jeff Kenney CLASS 23 April 18, 2018 Luminosity FuncDons in Galaxies 1 IntroducDon to LFs Galaxies have huge range of luminosity & mass : ~10 6 (M B - 7 to - 23) The Luminosity
More informationJournal of the Korean Magnetic Resonance Society 2003, 7, Kwangju, , KOREA Received September 29, 2003
Journal of the Korean Magnetic Resonance Society 2003, 7, 80-88 11 B Nuclear Magnetic Resonance Study of Calcium-hexaborides B. J. Mean 1, K. H. Lee 1, K. H. Kang 1, Moohee Lee 1*, J.S. Lee 2, and B. K.
More informationClassical Description of NMR Parameters: The Bloch Equations
Classical Description of NMR Parameters: The Bloch Equations Pascale Legault Département de Biochimie Université de Montréal 1 Outline 1) Classical Behavior of Magnetic Nuclei: The Bloch Equation 2) Precession
More informationLocal structure and molecular motions in imidazolium hydrogen malonate crystal as studied by 2 Hand 13 CNMR
Hyperfine Interact DOI 10.1007/s10751-014-1081-0 Local structure and molecular motions in imidazolium hydrogen malonate crystal as studied by 2 Hand 13 CNMR M. Mizuno M. Chizuwa T. Umiyama Y. Kumagai T.
More informationClassical Description of NMR Parameters: The Bloch Equations
Classical Description of NMR Parameters: The Bloch Equations Pascale Legault Département de Biochimie Université de Montréal 1 Outline 1) Classical Behavior of Magnetic Nuclei: The Bloch Equation 2) Precession
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 informationCenter for Sustainable Environmental Technologies, Iowa State University
NMR Characterization of Biochars By Catherine Brewer Center for Sustainable Environmental Technologies, Iowa State University Introduction Nuclear magnetic resonance spectroscopy (NMR) uses a very strong
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 informationRelaxation. Ravinder Reddy
Relaxation Ravinder Reddy Relaxation What is nuclear spin relaxation? What causes it? Effect on spectral line width Field dependence Mechanisms Thermal equilibrium ~10-6 spins leads to NMR signal! T1 Spin-lattice
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 information6 NMR Interactions: Zeeman and CSA
6 NMR Interactions: Zeeman and CSA 6.1 Zeeman Interaction Up to this point, we have mentioned a number of NMR interactions - Zeeman, quadrupolar, dipolar - but we have not looked at the nature of these
More informationGalaxies Astro 530 Fall 2015
Galaxies Astro 530 Fall 2015 Prof. Jeff Kenney CLASS 12 October 12, 2015 EllipDcal Galaxies: Structure, KinemaDcs, Orbits 1 Midterm exam next Monday Oct 19 Covers up thru lecture of Oct 5 and HW5 (thru
More informationNMR Relaxation and Molecular Dynamics
Ecole RMN Cargese Mars 2008 NMR Relaxation and Molecular Dynamics Martin Blackledge IBS Grenoble Carine van Heijenoort ICSN, CNRS Gif-sur-Yvette Solution NMR Timescales for Biomolecular Motion ps ns µs
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 informationSolid state 13 Cand 1 H MAS NMR investigations of C 60 (ferrocene-d 10 ) 2 complex
Spectroscopy 17 (2003) 39 44 39 IOS Press Solid state 13 Cand 1 H MAS NMR investigations of C 60 (ferrocene-d 10 ) 2 complex E. Shabanova, K. Schaumburg and F.S. Kamounah CISMI, Department of Chemistry,
More informatione 2m e c I, (7.1) = g e β B I(I +1), (7.2) = erg/gauss. (7.3)
Chemistry 126 Molecular Spectra & Molecular Structure Week # 7 Electron Spin Resonance Spectroscopy, Supplement Like the hydrogen nucleus, an unpaired electron in a sample has a spin of I=1/2. The magnetic
More informationSimulations of spectra and spin relaxation
43 Chapter 6 Simulations of spectra and spin relaxation Simulations of two-spin spectra We have simulated the noisy spectra of two-spin systems in order to characterize the sensitivity of the example resonator
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 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 informationNatural abundance solid-state 95 Mo MAS NMR of MoS 2 reveals precise 95 Mo anisotropic parameters from its central and satellite transitions
Electronic Supplementary Information for: Natural abundance solid-state 95 Mo MAS NMR of MoS 2 reveals precise 95 Mo anisotropic parameters from its central and satellite transitions Hans J. Jakobsen,*
More informationIntroduction to Electron Paramagnetic Resonance Spectroscopy
Introduction to Electron Paramagnetic Resonance Spectroscopy Art van der Est, Department of Chemistry, Brock University St. Catharines, Ontario, Canada 1 EPR Spectroscopy EPR is magnetic resonance on unpaired
More informationChemical Shift Anisotropy & Multidimensional Recoupling for Uniformly Labeled Proteins
Chemical Shift Anisotropy & Multidimensional Recoupling for Uniformly Labeled Proteins Chad M. Rienstra University of Illinois at Urbana-Champaign Winter School on Biomolecular Solid State NMR Jan. 20-25,
More informationSpin Feedback System at COSY
Spin Feedback System at COSY 21.7.2016 Nils Hempelmann Outline Electric Dipole Moments Spin Manipulation Feedback System Validation Using Vertical Spin Build-Up Wien Filter Method 21.7.2016 Nils Hempelmann
More informationPractical Manual. General outline to use the structural information obtained from molecular alignment
Practical Manual General outline to use the structural information obtained from molecular alignment 1. In order to use the information one needs to know the direction and the size of the tensor (susceptibility,
More informationThe Physical Basis of the NMR Experiment
The Physical Basis of the NMR Experiment 1 Interaction of Materials with Magnetic Fields F F S N S N Paramagnetism Diamagnetism 2 Microscopic View: Single Spins an electron has mass and charge in addition
More informationUses of Nuclear Magnetic Resonance (NMR) in Metal Hydrides and Deuterides. Mark S. Conradi
Uses of Nuclear Magnetic Resonance (NMR) in Metal Hydrides and Deuterides Mark S. Conradi Washington University Department of Physics St. Louis, MO 63130-4899 USA msc@physics.wustl.edu 1 Uses of Nuclear
More informationHyperfine interaction
Hyperfine interaction The notion hyperfine interaction (hfi) comes from atomic physics, where it is used for the interaction of the electronic magnetic moment with the nuclear magnetic moment. In magnetic
More information3. Perturbed Angular Correlation Spectroscopy
3. Perturbed Angular Correlation Spectroscopy Dileep Mampallil Augustine K.U.Leuven, Belgium Perturbed Angular Correlation Spectroscopy (PAC) is a gamma ray spectroscopy and can be used to investigate
More informationNMR (CHEM8028) Solid-state NMR: Anisotropic interactions and how we use them. Dr Philip Williamson January 2015
NMR (CEM808) Solid-state NMR: Anisotropic interactions and how we use them Dr Philip Williamson January 015 NMR: From Molecular to Cellular Level Cell Solid State NMR Mitochondrion Membrane Liquid NMR
More informationNMR Study of Aluminium Coordination in Clays
WDS'13 Proceedings of Contributed Papers, Part III, 104 109, 2013. ISBN 978-80-7378-252-8 MATFYZPRESS NMR Study of Aluminium Coordination in Clays K. Uličná, H. Štěpánková, V. Římal Charles University
More informationMultidimensional NQR Spectroscopy A New Tool in Studies of Molecular Dynamics
Vol. 108 (2005) ACTA PHYSICA POLONICA A No. 1 Proceedings of the XXI International Meeting on Radio and Microwave Spectroscopy RAMIS 2005, Poznań-Bȩdlewo, Poland, April 24 28, 2005 Multidimensional NQR
More informationBiophysical Chemistry: NMR Spectroscopy
Spin Dynamics & Vrije Universiteit Brussel 25th November 2011 Outline 1 Pulse/Fourier Transform NMR Thermal Equilibrium Effect of RF Pulses The Fourier Transform 2 Symmetric Exchange Between Two Sites
More informationNMR spectroscopy. Matti Hotokka Physical Chemistry Åbo Akademi University
NMR spectroscopy Matti Hotokka Physical Chemistry Åbo Akademi University Angular momentum Quantum numbers L and m (general case) The vector precesses Nuclear spin The quantum numbers are I and m Quantum
More information2.1. NMR Spectroscopy, Anisotropic Nuclear Spin Interaction.
Chapter II. Molecular segments orientation study using 29 Si NMR methods. 2.1. NMR Spectroscopy, Anisotropic Nuclear Spin Interaction. The term Nuclear Magnetic Resonance (NMR) unifies a big variety of
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 informationEquilibrium Thermodynamics and Biological Calorimetry
Equilibrium Thermodynamics and Biological Calorimetry Chris Johnson MRC-Laboratory of Molecular Biology Most of biology is based around reversible equilibrium processes that are mediated by many individually
More informationHydrodynamics of colloidal dispersions. Holger Stark Technische Universität Berlin
Hydrodynamics of colloidal dispersions Holger Stark Technische Universität Berlin Examples of Colloidal Dispersions applicadons: food (z.b. milk), paint, ink, fog, medicadon (z.b. nasal spray), cytoplasma
More informationChemical Exchange. Spin-interactions External interactions Magnetic field Bo, RF field B1
Chemical Exchange Spin-interactions External interactions Magnetic field Bo, RF field B1 Internal Interactions Molecular motions Chemical shifts J-coupling Chemical Exchange 1 Outline Motional time scales
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 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 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 informationNuclear Quadrupole Resonance Spectroscopy. Some examples of nuclear quadrupole moments
Nuclear Quadrupole Resonance Spectroscopy Review nuclear quadrupole moments, Q A negative value for Q denotes a distribution of charge that is "football-shaped", i.e. a sphere elongated at the poles; a
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 informationThe Positive Muon as a Probe in Chemistry. Dr. Iain McKenzie ISIS Neutron and Muon Source STFC Rutherford Appleton Laboratory
The Positive Muon as a Probe in Chemistry Dr. Iain McKenzie ISIS Neutron and Muon Source STFC Rutherford Appleton Laboratory I.McKenzie@rl.ac.uk µsr and Chemistry Properties of atoms or molecules containing
More informationHyperfine interactions Mössbauer, PAC and NMR Spectroscopy: Quadrupole splittings, Isomer shifts, Hyperfine fields (NMR shifts)
Hyperfine interactions Mössbauer, PAC and NMR Spectroscopy: Quadrupole splittings, Isomer shifts, Hyperfine fields (NMR shifts) Peter Blaha Institute of Materials Chemistry TU Wien Definition of Hyperfine
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 informationLecture #6 Chemical Exchange
Lecture #6 Chemical Exchange Topics Introduction Effects on longitudinal magnetization Effects on transverse magnetization Examples Handouts and Reading assignments Kowalewski, Chapter 13 Levitt, sections
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 informationIntroduction of Key Concepts of Nuclear Magnetic Resonance
I have not yet lost that sense of wonder, and delight, that this delicate motion should reside in all ordinary things around us, revealing itself only to those who looks for it. E. M. Purcell, Nobel Lecture.
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 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 informationNUCLEAR STRUCTURE WITH GAMMA- RAYS PART II
NUCLEAR STRUCTURE WITH GAMMA- RAYS PART II Heather Crawford Ohio University ExoDc Beam Summer School 2014 Oak Ridge, TN THE PLAN Yesterday Basics of gamma- rays InteracDon of gamma- rays in marer Today
More informationSupporting Information Elucidating Lithium-Ion and Proton Dynamics in Anti- Perovskite Solid Electrolytes
Electronic Supplementary Material (ESI) for Energy & Environmental Science. This journal is The Royal Society of Chemistry 2018 Supporting Information Elucidating Lithium-Ion and Proton Dynamics in Anti-
More informationIntra- beam Sca-ering Effects in the Extra Low ENergy An;proton ring (ELENA)
Intra- beam Sca-ering Effects in the Extra Low ENergy An;proton ring (ELENA) Javier Resta-Lopez, James Hunt, Carsten Welsch, Cockcroft Institute, The University of Liverpool IPAC 2015 Richmond, Virginia,
More informationLecture 8 Analyzing the diffusion weighted signal. Room CSB 272 this week! Please install AFNI
Lecture 8 Analyzing the diffusion weighted signal Room CSB 272 this week! Please install AFNI http://afni.nimh.nih.gov/afni/ Next lecture, DTI For this lecture, think in terms of a single voxel We re still
More informationPrediction of NMR parameters in the solid-state
1J PO Prediction of NMR parameters in the solid-state Jonathan Yates Materials Modelling Laboratory, Oxford Materials 2J PSi 1 Nuclear Magnetic Resonance Applied Field Zero Field B Population differences!
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 informationNMR-CASTEP. Jonathan Yates. Cavendish Laboratory, Cambridge University. J-coupling cons. NMR-CASTEP York 2007 Jonathan Yates.
Jonathan Yates Cavendish Laboratory, Cambridge University 2 2 1 3 2 N1a-N7b a hemical shift Experiment Calculation [ppm] [ppm] -43.8-47.4 "(31P) 29 "( Si1) -213.3-214.8 "(29Si2) -217.0-218.7 29-119.1-128.6
More informationHIGH-TEMPERATURE STEAM-TREATMENT OF PBI AND ITS BLENDS WITH PEEK AND PEKK: A SOLID-STATE NMR STUDY
HIGH-TEMPERATURE STEAM-TREATMENT OF PBI AND ITS BLENDS WITH PEEK AND PEKK: A SOLID-STATE NMR STUDY Jacqueline C. Pope, Tim Bremner, Janet Blümel,* Texas A&M University, College Station, TX, 77842, Tel.
More informationGIPAW: A solid-state theory for NMR
GIPAW: A solid-state theory for NMR Jonathan Yates jonathan.yates@materials.ox.ac.uk Materials Modelling Laboratory, Oxford Materials NMR parameters we will focus on non-metallic, diamagnetic materials
More informationDoppler and Zeeman Doppler Imaging of stars
Doppler and Zeeman Doppler Imaging of stars Oleg Kochukhov oleg.kochukhov@physics.uu.se! Uppsala University, Sweden Surface cartography of the Sun and stars, Besançon, 2014 Outline u IntroducDon: why map
More informationOutline of the talk How to describe restricted diffusion? How to monitor restricted diffusion? Laplacian eigenfunctions in NMR Other applications Loca
Laplacian Eigenfunctions in NMR Denis S. Grebenkov Laboratoire de Physique de la Matière Condensée CNRS Ecole Polytechnique, Palaiseau, France IPAM Workshop «Laplacian Eigenvalues and Eigenfunctions» February
More informationThe Effects of Refuge on Escape Responses of Two Caribbean Goby Species
University of Rhode Island DigitalCommons@URI Senior Honors Projects Honors Program at the University of Rhode Island 2013 The Effects of Refuge on Escape Responses of Two Caribbean Goby Species Russell
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 Lecturer: Gabriele Varani Biochemistry and Chemistry Room J479 and
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 informationPrinciples of Nuclear Magnetic Resonance in One and Two Dimensions
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
More informationInorganic Spectroscopic and Structural Methods
Inorganic Spectroscopic and Structural Methods Electromagnetic spectrum has enormous range of energies. Wide variety of techniques based on absorption of energy e.g. ESR and NMR: radiowaves (MHz) IR vibrations
More informationSYMMETRICAL FAULTS Revised: 10/8/13 1:49 PM
SYMMETRICAL FAULTS Revised: 10/8/13 1:49 PM 10/8/13 Symmetrical Faults 1 What is a fault? A faults is any failure which interferes with the normal flow of current. Most faults on transmission lines of
More information* Universite des Sciences et Techniques de Lille
XXII. INTERPRETATION OF QUADRUPOLAR POWDER SPECTRA: STATIC AND MAS EXPERIMENTS. (TUTORIAL SESSION) J.P. AMOUREUX*, C. FERNANDEZ* and P. GRANGER** * Universite des Sciences et Techniques de Lille 59655
More informationModern Solid State NMR strategies for the structural characterization of amorphous solids Leo van Wüllen
Modern Solid State NMR strategies for the structural characterization of amorphous solids Leo van Wüllen Institute of Physical Chemistry University of Münster The van Wüllen group at Münster Inorganic
More informationTwo Posts to Fill On School Board
Y Y 9 86 4 4 qz 86 x : ( ) z 7 854 Y x 4 z z x x 4 87 88 Y 5 x q x 8 Y 8 x x : 6 ; : 5 x ; 4 ( z ; ( ) ) x ; z 94 ; x 3 3 3 5 94 ; ; ; ; 3 x : 5 89 q ; ; x ; x ; ; x : ; ; ; ; ; ; 87 47% : () : / : 83
More informationShallow Donors in Silicon as Electron and Nuclear Spin Qubits Johan van Tol National High Magnetic Field Lab Florida State University
Shallow Donors in Silicon as Electron and Nuclear Spin Qubits Johan van Tol National High Magnetic Field Lab Florida State University Overview Electronics The end of Moore s law? Quantum computing Spin
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 informationStudy of e + e - àγωj/ψ at BESIII
Study of e + e - àγωj/ψ at BESIII Liu Zhiqing Johannes Gutenberg Universität Mainz liuz@uni-mainz.de X(3872) BàKX(3872) Confirmed by 7 independent experiments (Belle, BABAR, LHCb, CDF, D0, CMS, BESIII)
More informationEvidence Based Subjec1ve Logic
Evidence Based Subjec1ve Logic Boris Škorić Nicola Zannone Sebastiaan de Hoogh EIPSI seminar 16 June 2014 h"p://arxiv.org/abs/1402.3319 Outline Trust networks Forming opinions with uncertainty - SubjecDve
More informationFerdowsi University of Mashhad
Spectroscopy in Inorganic Chemistry Nuclear Magnetic Resonance Spectroscopy spin deuterium 2 helium 3 The neutron has 2 quarks with a -e/3 charge and one quark with a +2e/3 charge resulting in a total
More informationNuclear Magnetic Resonance Imaging
Nuclear Magnetic Resonance Imaging Simon Lacoste-Julien Electromagnetic Theory Project 198-562B Department of Physics McGill University April 21 2003 Abstract This paper gives an elementary introduction
More informationSketch of the MRI Device
Outline for Today 1. 2. 3. Introduction to MRI Quantum NMR and MRI in 0D Magnetization, m(x,t), in a Voxel Proton T1 Spin Relaxation in a Voxel Proton Density MRI in 1D MRI Case Study, and Caveat Sketch
More informationChemistry 605 (Reich)
Chemistry 605 (Reich) THIRD HOUR EXAM Wed. May 15, 2013 Question/Points R-12L /20 R-12M /15 R-12N /25 R-12O /10 R-12P /20 Total /90 Name If you place answers anywhere else except in the spaces provided,
More information3 Chemical exchange and the McConnell Equations
3 Chemical exchange and the McConnell Equations NMR is a technique which is well suited to study dynamic processes, such as the rates of chemical reactions. The time window which can be investigated in
More informationRotational Motion. Chapter 4. P. J. Grandinetti. Sep. 1, Chem P. J. Grandinetti (Chem. 4300) Rotational Motion Sep.
Rotational Motion Chapter 4 P. J. Grandinetti Chem. 4300 Sep. 1, 2017 P. J. Grandinetti (Chem. 4300) Rotational Motion Sep. 1, 2017 1 / 76 Angular Momentum The angular momentum of a particle with respect
More informationThe Basics of Magnetic Resonance Imaging
The Basics of Magnetic Resonance Imaging Nathalie JUST, PhD nathalie.just@epfl.ch CIBM-AIT, EPFL Course 2013-2014-Chemistry 1 Course 2013-2014-Chemistry 2 MRI: Many different contrasts Proton density T1
More informationQENS in the Energy Domain: Backscattering and Time-of
QENS in the Energy Domain: Backscattering and Time-of of-flight Alexei Sokolov Department of Polymer Science, The University of Akron Outline Soft Matter and Neutron Spectroscopy Using elastic scattering
More informationScott A. Smith and Nagarajan Murali 1
Journal of Magnetic Resonance 136, 27 36 (1999) Article ID jmre.1998.1582, available online at http://www.idealibrary.com on Relaxation Effects in a System of a Spin-1/2 Nucleus Coupled to a Quadrupolar
More informationNuclear Magnetic Resonance (NMR) Spectroscopy Introduction:
Nuclear Magnetic Resonance (NMR) Spectroscopy Introduction: Nuclear magnetic resonance spectroscopy (NMR) is the most powerful tool available for organic structure determination. Like IR spectroscopy,
More information