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
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Czech description
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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
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Result continuities
Project
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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
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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