Long-lived nuclear spin order: theory and applications

462 Pages·2020·16.202 MB·English

by  Pileio, Giuseppe

Long-lived Nuclear Spin Order
Theory and Applications
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New Developments in NMR
Editor-in-chief:
William S. Price, Western Sydney University, Australia
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9 Istv´an Furo´, Industrial NMR Centre at KTH, Sweden
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7 Maili Liu, Chinese Academy of Sciences, Wuhan, China
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39/ Titles in the series:
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0. 1: Contemporary Computer-Assisted Approaches to Molecular Structure
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oi: Elucidation
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or 3: Advances in Biological Solid-State NMR
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s.rs 4: Hyperpolarized Xenon-129 Magnetic Resonance: Concepts,
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A 9: Diffusion NMR of Confined Systems: Fluid Transport in Porous Solids
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13: Contrast Agents for MRI: Experimental Methods
14: NMR-based Metabolomics
15: Modern Methods in Solid-state NMR: A Practitioner’s Guide
16: Paramagnetism in Experimental Biomolecular NMR
17: Optimizing NMR Methods for Structure Elucidation: Characterizing
Natural Products and Other Organic Compounds
18: Field-cycling NMR Relaxometry: Instrumentation, Model Theories and
Applications
19: Hybrid MR-PET Imaging of the Brain: Systems, Methods and
Applications
View Online
20: NMR Methods for Characterization of Synthetic and Natural Polymers
21: In-cell NMR Spectroscopy: From Molecular Sciences to Cell Biology
22: Long-lived Nuclear Spin Order: Theory and Applications
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Long-lived Nuclear Spin Order
Theory and Applications
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9 Edited by
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8 NewDevelopmentsinNMRNo.22
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2- Preface
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0. Itwasthebeginningof2005andIwaslookingforaresearchgrouptospend
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oi: sixmonthswithasapartofmyPhDprogramme.IendedupjoiningLevitt’s
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g | group in Southampton with the clear aim to learn about spin dynamics in
c.or great depth. That was indeed the right place. At that time Malcolm and
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s.r group members were quite excited about their recent demonstrations of
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s://pu tuhneaneximistoeunscleyobfelnieuvceldeatrosbpeinashtaatredslwimhiotsteolnifuectilmeaeresxpcienesdteadteTs’1l–ifeutpimtoe.thThene
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htt veryfirsttwopapersonthephenomenonhadjustbeenpublishedandIwas
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0 o assigned the task to carry the research forward. I liked the idea very much;
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0 mainly because the topic embraces a good amount of spin dynamics in the
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pril derivationofnewanalyticalequationstodescribetherelaxationofsuchspin
A states or the development of new pulse sequences, the use of synthetic
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n 0 chemistry to design molecules supporting those states and a good level of
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d thinking and imagination to exploit these findings into some useful appli-
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sh cations.Itisnownearly15yearslaterandIamstillinvestigatingthefieldas
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u part of the activities of my own research group. Meanwhile, the potentiality
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of the subject was rapidly embraced by a number of colleagues worldwide
and a good number of research papers has been published as a result.
InthisbookIinvitedsuchcolleaguestosharetheresultsoftheirresearch
efforts but todo so inalanguage that is atan introductory level so that the
bookcanserveasastartingpointofunderstandingforresearcherswhomay
become fascinated by the subject in the future. The book brings together
23 chapters written by experts from all over the world who are actively
working onthesubject.Thebookisdividedintofourpartsthat encompass
themajortheoriesbehindthephenomenon,themethodologydevelopedso
far, the range of proposed applications and some generalisations of the
originalidea.InPart1,afteropeningwithageneraloverviewofthetopic,we
lay down a symmetry-based theory for the existence of singlet order in a
NewDevelopmentsinNMRNo.22
Long-livedNuclearSpinOrder:TheoryandApplications
EditedbyGiuseppePileio
rTheRoyalSocietyofChemistry2020
PublishedbytheRoyalSocietyofChemistry,www.rsc.org
vii
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viii Preface
given spin-system and the analytical equations that describe the relaxation
ofsuchspinorderunderseveralrelaxationmechanisms.InPart2wediscuss
theNMRpulsesequencesdevelopedtoaccessandmanipulatesingletorder,
starting with the synthetic chemistry rules to produce molecules that
supportsuchanorder.Part3isdedicatedtotheexploitationofsingleorder
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00 in a number of fields, including investigations of drug affinity, quantum
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F computing or the study of porous media. Part 4 discusses other forms of
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97 long-lived spin order such as long-lived coherences or long-lived spin order
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01 in more complex spin systems.
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78 Before inviting you to read this work, I would like to thank all of the
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9/ collective effort rather than my personal one. My most special thanks go to
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1 MalcolmLevitt,whointroducedmetothetopicand,asinhisstyle,gaveme
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d with all his invaluable knowledge and expertise to guide me through. I am
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or also indebted to a number of friends who worked together with me on the
sc. subject whileinMalcolm’sgroup:JiriBocan,LyndaBrown, Richard Brown,
bs.r Marina Carravetta, Maria Concistr`e, Jean-Nicholas Dumez, Stuart Elliott,
u
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s:// P¨ar Håkansson, Joseph Hill-Cousin, Ole Johannessen, Alex Pop, Gabriele
http Stevanato and Michael Tayler as well as to a number of dedicated students
n andresearcherswhoworkorhaveworkedontheseideasasmembersofmy
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20 research group: Francesco Giustiniano, Andrew Hall, Giulia Melchiorre,
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pril 2 AliFkiinMalloyy,siIadami, SvyelwryiathOasntrkofwuslktao, SthuendReoeypalRaStohcoieretyaonfdCMhoenmiqisuteryTaonudreltlh.e
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7 editor-in-chiefofthisseries,Prof.William S.Price,forproposingthatIedit
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on this very first book on the subject of long-lived nuclear spin order.
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2- Contents
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1 Chapter 1 Long-lived States in Nuclear Magnetic Resonance: An
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A Symmetry 13
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1.3.5 Long-lived State Operators 21
1.4 Long-lived State NMR 23
1.4.1 Excitation 23
1.4.2 Filtering 25
1.4.3 Evolution 25
1.4.4 Read-out 26
1.4.5 Detection 26
Acknowledgements 26
References 26
NewDevelopmentsinNMRNo.22
Long-livedNuclearSpinOrder:TheoryandApplications
EditedbyGiuseppePileio
rTheRoyalSocietyofChemistry2020
PublishedbytheRoyalSocietyofChemistry,www.rsc.org
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x Contents
Chapter 2 Symmetry and Long-lived Spin Order 33
Gabriele Stevanato
2.1 Introduction 33
2.1.1 The Concept of Symmetry 33
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2.4 LLS Accessibility via Coherent/Incoherent
Mechanisms 56
2.4.1 Example 1 56
2.4.2 Example 2 57
2.4.3 Example 3 59
2.4.4 Example 4 60
2.5 Conclusions 61
References 61
Chapter 3 Relaxation Theory of Long-lived Spin Order 64
Giuseppe Pileio
3.1 Introduction 64
3.2 Longitudinal and Singlet Order 65
3.3 A Model for Nuclear Spin Relaxation 67
3.4 Relaxation Decay Rates 70