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Limits in Proton Nuclear Singlet-State Lifetimes Measured with para-Hydrogen-Induced Polarization

The result's identifiers

  • Result code in IS VaVaI

    <a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F61388963%3A_____%2F16%3A00467021" target="_blank" >RIV/61388963:_____/16:00467021 - isvavai.cz</a>

  • Alternative codes found

    RIV/68407700:21230/16:00303298

  • Result on the web

    <a href="http://dx.doi.org/10.1002/cphc.201600663" target="_blank" >http://dx.doi.org/10.1002/cphc.201600663</a>

  • DOI - Digital Object Identifier

    <a href="http://dx.doi.org/10.1002/cphc.201600663" target="_blank" >10.1002/cphc.201600663</a>

Alternative languages

  • Result language

    angličtina

  • Original language name

    Limits in Proton Nuclear Singlet-State Lifetimes Measured with para-Hydrogen-Induced Polarization

  • Original language description

    The synthesis of a hyperpolarized molecule was developed, where the polarization and the singlet state were preserved over two controlled chemical steps. Nuclear singlet-state lifetimes close to 6 min for protons are reported in dimethyl fumarate. Owing to the high symmetry (AA'X3X3' and A(2) systems), the singlet-state readout requires either a chemical de-symmetrization or a long and repeated spin lock. Using DFT calculations and relaxation models, we further determine nuclear spin singlet lifetime limiting factors, which include the intramolecular dipolar coupling mechanism (proton-proton and proton-deuterium), the chemical shift anisotropy mechanism (symmetric and antisymmetric), and the intermolecular dipolar coupling mechanism (to oxygen and deuterium). If the limit of paramagnetic relaxation caused by residual oxygen could be lifted, the intramolecular dipolar coupling to deuterium would become the limiting relaxation mechanism and proton lifetimes upwards of 26 min could become available in the molecules considered here (dimethyl maleate and dimethyl fumarate).

  • Czech name

  • Czech description

Classification

  • Type

    J<sub>x</sub> - Unclassified - Peer-reviewed scientific article (Jimp, Jsc and Jost)

  • CEP classification

    CF - Physical chemistry and theoretical chemistry

  • OECD FORD branch

Result continuities

  • Project

  • Continuities

    I - Institucionalni podpora na dlouhodoby koncepcni rozvoj vyzkumne organizace

Others

  • Publication year

    2016

  • Confidentiality

    S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů

Data specific for result type

  • Name of the periodical

    ChemPhysChem

  • ISSN

    1439-4235

  • e-ISSN

  • Volume of the periodical

    17

  • Issue of the periodical within the volume

    19

  • Country of publishing house

    DE - GERMANY

  • Number of pages

    5

  • Pages from-to

    2967-2971

  • UT code for WoS article

    000386790100003

  • EID of the result in the Scopus database

    2-s2.0-84989812375