<?xml version="1.0" encoding="utf-8"?>
<TEI xmlns="http://www.tei-c.org/ns/1.0" xmlns:xsi="http://www.w3.org/2001/XMLSchema-instance" xmlns:hal="http://hal.archives-ouvertes.fr/" xmlns:gml="http://www.opengis.net/gml/3.3/" xmlns:gmlce="http://www.opengis.net/gml/3.3/ce" version="1.1" xsi:schemaLocation="http://www.tei-c.org/ns/1.0 http://api.archives-ouvertes.fr/documents/aofr-sword.xsd">
  <teiHeader>
    <fileDesc>
      <titleStmt>
        <title>HAL TEI export of hal-01187390</title>
      </titleStmt>
      <publicationStmt>
        <distributor>CCSD</distributor>
        <availability status="restricted">
          <licence target="https://creativecommons.org/publicdomain/zero/1.0/">CC0 1.0 - Universal</licence>
        </availability>
        <date when="2026-05-14T04:53:13+02:00"/>
      </publicationStmt>
      <sourceDesc>
        <p part="N">HAL API Platform</p>
      </sourceDesc>
    </fileDesc>
  </teiHeader>
  <text>
    <body>
      <listBibl>
        <biblFull>
          <titleStmt>
            <title xml:lang="en">Broadband solid-state MAS NMR of paramagnetic systems</title>
            <author role="aut">
              <persName>
                <forename type="first">Andrew J.</forename>
                <surname>Pell</surname>
              </persName>
              <idno type="halauthorid">637237-0</idno>
              <affiliation ref="#struct-406216"/>
            </author>
            <author role="aut">
              <persName>
                <forename type="first">Guido</forename>
                <surname>Pintacuda</surname>
              </persName>
              <email type="md5">7bfd86f7c27d6760d3a2b35522b70b31</email>
              <email type="domain">isa-lyon.fr</email>
              <idno type="idhal" notation="numeric">960700</idno>
              <idno type="halauthorid" notation="string">366380-960700</idno>
              <affiliation ref="#struct-406216"/>
            </author>
            <editor role="depositor">
              <persName>
                <forename>Agnès</forename>
                <surname>Bussy</surname>
              </persName>
              <email type="md5">7b2db7a9d1c0ad8bb6fa9adb66952291</email>
              <email type="domain">isa-lyon.fr</email>
            </editor>
            <funder ref="#projanr-25732"/>
            <funder ref="#projanr-26945"/>
            <funder ref="#projeurop-115983"/>
            <funder>A.J.P. was supported by the LABEX iMUST (ANR-10-LABX-0064) of the Universite de Lyon, within the program Investissements d'Avenir (ANR-11-IDEX-0007) operated by the Agence Nationale de la Recherche (ANR). The research leading to these results has received funding from the People Programme (Marie Curie Actions Initial Training Networks (ITN)) of the European Union's Seventh Framework Programme FP7/2007-2013/ under REA grant agreement No. 317127, the "pNMR" project.</funder>
          </titleStmt>
          <editionStmt>
            <edition n="v1" type="current">
              <date type="whenSubmitted">2015-08-26 16:15:57</date>
              <date type="whenModified">2024-04-25 03:09:59</date>
              <date type="whenReleased">2015-08-26 16:15:57</date>
              <date type="whenProduced">2015-05</date>
              <ref type="externalLink" target="https://www.repository.cam.ac.uk/bitstream/1810/247431/1/Pell%20%26%20Pintacuda%202015%20Progress%20in%20Nuclear%20Magnetic%20Resonance%20Spectroscopy.pdf"/>
            </edition>
            <respStmt>
              <resp>contributor</resp>
              <name key="153422">
                <persName>
                  <forename>Agnès</forename>
                  <surname>Bussy</surname>
                </persName>
                <email type="md5">7b2db7a9d1c0ad8bb6fa9adb66952291</email>
                <email type="domain">isa-lyon.fr</email>
              </name>
            </respStmt>
          </editionStmt>
          <publicationStmt>
            <distributor>CCSD</distributor>
            <idno type="halId">hal-01187390</idno>
            <idno type="halUri">https://hal.science/hal-01187390</idno>
            <idno type="halBibtex">pell:hal-01187390</idno>
            <idno type="halRefHtml">&lt;i&gt;Progress in Nuclear Magnetic Resonance Spectroscopy&lt;/i&gt;, 2015, 84, pp.33-72. &lt;a target="_blank" href="https://dx.doi.org/10.1016/j.pnmrs.2014.12.002"&gt;&amp;#x27E8;10.1016/j.pnmrs.2014.12.002&amp;#x27E9;&lt;/a&gt;</idno>
            <idno type="halRef">Progress in Nuclear Magnetic Resonance Spectroscopy, 2015, 84, pp.33-72. &amp;#x27E8;10.1016/j.pnmrs.2014.12.002&amp;#x27E9;</idno>
            <availability status="restricted"/>
          </publicationStmt>
          <seriesStmt>
            <idno type="stamp" n="CNRS">CNRS - Centre national de la recherche scientifique</idno>
            <idno type="stamp" n="UNIV-LYON1">Université Claude Bernard - Lyon I</idno>
            <idno type="stamp" n="OPENAIRE">OpenAIRE</idno>
            <idno type="stamp" n="ISA" corresp="UNIV-LYON1">Institut des Sciences Analytiques</idno>
            <idno type="stamp" n="INC-CNRS">Institut de Chimie du CNRS</idno>
            <idno type="stamp" n="UDL">UDL</idno>
            <idno type="stamp" n="UNIV-LYON">Université de Lyon</idno>
            <idno type="stamp" n="ANR">ANR</idno>
            <idno type="stamp" n="TEST2-HALCNRS">TEST2-HALCNRS</idno>
          </seriesStmt>
          <notesStmt>
            <note type="commentary">We acknowledge Prof. Lyndon Emsley and Mr. Kevin J. Sanders (Ecole Normale Superieure de Lyon), Prof. Clare P. Grey and Ms. Raphaele J. Clement (University of Cambridge), Dr. Dominique Massiot and Dr. Michael Deschamps (Universite d'Orleans), and Prof. Philip J. Grandinetti (Ohio State University) for many useful discussions about various aspects of broadband NMR sequences, adiabaticity, and the jolting frame. We are grateful to Prof. M. Stanley Whittingham and Dr. Joel K. Miller (State University of New York at Binghamton) for supplying the sample of LiFe&lt;INF&gt;0.5&lt;/INF&gt;Mn&lt;INF&gt;0.5&lt;/INF&gt;PO&lt;INF&gt;4&lt;/INF&gt;.</note>
            <note type="audience" n="2">International</note>
            <note type="popular" n="0">No</note>
            <note type="peer" n="1">Yes</note>
          </notesStmt>
          <sourceDesc>
            <biblStruct>
              <analytic>
                <title xml:lang="en">Broadband solid-state MAS NMR of paramagnetic systems</title>
                <author role="aut">
                  <persName>
                    <forename type="first">Andrew J.</forename>
                    <surname>Pell</surname>
                  </persName>
                  <idno type="halauthorid">637237-0</idno>
                  <affiliation ref="#struct-406216"/>
                </author>
                <author role="aut">
                  <persName>
                    <forename type="first">Guido</forename>
                    <surname>Pintacuda</surname>
                  </persName>
                  <email type="md5">7bfd86f7c27d6760d3a2b35522b70b31</email>
                  <email type="domain">isa-lyon.fr</email>
                  <idno type="idhal" notation="numeric">960700</idno>
                  <idno type="halauthorid" notation="string">366380-960700</idno>
                  <affiliation ref="#struct-406216"/>
                </author>
              </analytic>
              <monogr>
                <idno type="halJournalId" status="VALID">18267</idno>
                <idno type="issn">0079-6565</idno>
                <title level="j">Progress in Nuclear Magnetic Resonance Spectroscopy</title>
                <imprint>
                  <publisher>Elsevier</publisher>
                  <biblScope unit="volume">84</biblScope>
                  <biblScope unit="pp">33-72</biblScope>
                  <date type="datePub">2015-05</date>
                </imprint>
              </monogr>
              <idno type="doi">10.1016/j.pnmrs.2014.12.002</idno>
              <idno type="pubmed">25669740</idno>
            </biblStruct>
          </sourceDesc>
          <profileDesc>
            <langUsage>
              <language ident="en">English</language>
            </langUsage>
            <textClass>
              <keywords scheme="author">
                <term xml:lang="en">SENSITIVITY ENHANCEMENT</term>
                <term xml:lang="en">NUCLEAR-MAGNETIC-RESONANCE</term>
                <term xml:lang="en">SPIN QUADRUPOLAR NUCLEI</term>
                <term xml:lang="en">HYPERBOLIC SECANT PULSES</term>
                <term xml:lang="en">ADIABATIC PULSES</term>
                <term xml:lang="en">ROTATING SOLIDS</term>
                <term xml:lang="en">P-31 NMR</term>
                <term xml:lang="en">Magic-angle spinning</term>
                <term xml:lang="en">SELECTIVE EXCITATION</term>
                <term xml:lang="en">CATHODE MATERIALS</term>
                <term xml:lang="en">HYPERFINE SHIFTS</term>
                <term xml:lang="en">Solid-state NMR</term>
                <term xml:lang="en">Adiabatic pulse</term>
                <term xml:lang="en">Broadband</term>
                <term xml:lang="en">Paramagnetic</term>
              </keywords>
              <classCode scheme="halDomain" n="chim.anal">Chemical Sciences/Analytical chemistry</classCode>
              <classCode scheme="halDomain" n="chim.theo">Chemical Sciences/Theoretical and/or physical chemistry</classCode>
              <classCode scheme="halTypology" n="ART">Journal articles</classCode>
              <classCode scheme="halOldTypology" n="ART">Journal articles</classCode>
              <classCode scheme="halTreeTypology" n="ART">Journal articles</classCode>
            </textClass>
            <abstract xml:lang="en">
              <p>The combination of new magnet and probe technology with increasingly sophisticated pulse sequences has resulted in an increase in the number of applications of solid-state nuclear magnetic resonance (NMR) spectroscopy to paramagnetic materials and biomolecules. The interaction between the paramagnetic metal ions and the NMR-active nuclei often yields crucial structural or electronic information about the system. In particular the application of magic-angle spinning (MAS) has been shown to be crucial to obtaining resolution that is sufficiently high for studying complex systems. However such systems are generally extremely difficult to study as the shifts and shift anisotropies resulting from the same paramagnetic interaction broaden the spectrum beyond excitation and detection, and the paramagnetic relaxation enhancement (PRE) shortens the lifetimes of the excited signals considerably. One specific area that has therefore been receiving significant attention in recent years, and for which great improvements have been seen, is the development of broadband NMR sequences. The development of new excitation and inversion sequences for paramagnetic systems under MAS has often made the difference between the spectrum being unobtainable, and a complete NMR study being possible. However the development of the new sequences must explicitly take account of the modulation of the anisotropic shift interactions due to the sample rotation, with the resulting spin dynamics often being complicated considerably. The NMR sequences can either be helped or hindered by MAS, with the efficiency of some pulse schemes being destroyed, and others being greatly enhanced. This review describes the pulse sequences that have recently been proposed for broadband excitation, inversion, and refocussing of the signal components of paramagnetic systems. In doing so we define exactly what is meant by "broadband" under spinning conditions, and what the perfect pulse scheme should deliver. We also give a unified description of the spin dynamics under MAS which highlights the strengths and weaknesses of the various schemes, and which can be used as guidance for future research in this area. All the reviewed pulse schemes are evaluated both with simulations and experimental data obtained on the battery material LiFe0.5Mn0.5PO4 which is typical of the complexity of the paramagnetic systems that are currently under study.</p>
            </abstract>
          </profileDesc>
        </biblFull>
      </listBibl>
    </body>
    <back>
      <listOrg type="structures">
        <org type="researchteam" xml:id="struct-406216" status="OLD">
          <orgName>Biological Solid-State NMR Methods - Méthodes de RMN à l'état solide en biologie</orgName>
          <desc>
            <address>
              <country key="FR"/>
            </address>
          </desc>
          <listRelation>
            <relation active="#struct-136798" type="direct"/>
            <relation name="UMR5280" active="#struct-194495" type="indirect"/>
            <relation active="#struct-301088" type="indirect"/>
            <relation active="#struct-341038" type="indirect"/>
            <relation name="UMR5280" active="#struct-441569" type="indirect"/>
          </listRelation>
        </org>
        <org type="laboratory" xml:id="struct-136798" status="VALID">
          <idno type="IdRef">200699555</idno>
          <idno type="ISNI">0000000403742720</idno>
          <idno type="RNSR">201119453B</idno>
          <idno type="ROR">https://ror.org/03s5z5x70</idno>
          <orgName>Institut des Sciences Analytiques</orgName>
          <orgName type="acronym">ISA</orgName>
          <date type="start">2011-01-01</date>
          <desc>
            <address>
              <addrLine>5 rue de la Doua, 69100 Villeurbanne</addrLine>
              <country key="FR"/>
            </address>
            <ref type="url">http://isa-lyon.fr</ref>
          </desc>
          <listRelation>
            <relation name="UMR5280" active="#struct-194495" type="direct"/>
            <relation active="#struct-301088" type="direct"/>
            <relation active="#struct-341038" type="direct"/>
            <relation name="UMR5280" active="#struct-441569" type="direct"/>
          </listRelation>
        </org>
        <org type="institution" xml:id="struct-194495" status="VALID">
          <idno type="IdRef">026402823</idno>
          <idno type="ISNI">0000000121686185</idno>
          <idno type="ROR">https://ror.org/029brtt94</idno>
          <orgName>Université Claude Bernard Lyon 1</orgName>
          <orgName type="acronym">UCBL</orgName>
          <desc>
            <address>
              <addrLine>43, boulevard du 11 novembre 1918, 69622 Villeurbanne cedex</addrLine>
              <country key="FR"/>
            </address>
            <ref type="url">http://www.univ-lyon1.fr/</ref>
          </desc>
          <listRelation>
            <relation active="#struct-301088" type="direct"/>
          </listRelation>
        </org>
        <org type="regroupinstitution" xml:id="struct-301088" status="VALID">
          <idno type="ROR">https://ror.org/01rk35k63</idno>
          <orgName>Université de Lyon</orgName>
          <desc>
            <address>
              <addrLine>92 rue Pasteur - CS 30122, 69361 Lyon Cedex 07</addrLine>
              <country key="FR"/>
            </address>
            <ref type="url">https://www.universite-lyon.fr/</ref>
          </desc>
        </org>
        <org type="institution" xml:id="struct-341038" status="VALID">
          <idno type="IdRef">232435103</idno>
          <idno type="ISNI">000000010626358X</idno>
          <idno type="ROR">https://ror.org/02cte4b68</idno>
          <orgName>Institut de Chimie - CNRS Chimie</orgName>
          <orgName type="acronym">INC-CNRS</orgName>
          <date type="start">2009-10-01</date>
          <desc>
            <address>
              <addrLine>CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE3 rue Michel-Ange75794 PARIS CEDEX 16 - France</addrLine>
              <country key="FR"/>
            </address>
            <ref type="url">http://www.cnrs.fr/inc</ref>
          </desc>
        </org>
        <org type="regroupinstitution" xml:id="struct-441569" status="VALID">
          <idno type="IdRef">02636817X</idno>
          <idno type="ISNI">0000000122597504</idno>
          <idno type="ROR">https://ror.org/02feahw73</idno>
          <orgName>Centre National de la Recherche Scientifique</orgName>
          <orgName type="acronym">CNRS</orgName>
          <date type="start">1939-10-19</date>
          <desc>
            <address>
              <country key="FR"/>
            </address>
            <ref type="url">https://www.cnrs.fr/</ref>
          </desc>
        </org>
      </listOrg>
      <listOrg type="projects">
        <org type="anrProject" xml:id="projanr-25732" status="VALID">
          <idno type="anr">ANR-11-IDEX-0007</idno>
          <orgName>Avenir L.S.E.</orgName>
          <desc>PROJET AVENIR LYON SAINT-ETIENNE</desc>
          <date type="start">2011</date>
        </org>
        <org type="anrProject" xml:id="projanr-26945" status="VALID">
          <idno type="anr">ANR-10-LABX-0064</idno>
          <orgName>Imust</orgName>
          <desc>Institut for Multiscale Science and Technology : from Fundamental Physics and Chemistry to Engineering in New Material and Processes and Ecotechnologies</desc>
          <date type="start">2010</date>
        </org>
        <org type="europeanProject" xml:id="projeurop-115983" status="VALID">
          <idno type="number">317127</idno>
          <idno type="program">FP7-PEOPLE-2012-ITN</idno>
          <idno type="call">FP7-PEOPLE-2012-ITN</idno>
          <orgName>pNMR</orgName>
          <desc>Pushing the Envelope of Nuclear Magnetic Resonance Spectroscopy for Paramagnetic Systems. A Combined Experimental and Theoretical Approach</desc>
          <date type="start">2013-01-01</date>
          <date type="end">2016-12-31</date>
        </org>
      </listOrg>
    </back>
  </text>
</TEI>