31P NMR parameters may facilitate the stereochemical analysis of phosphorus-containing compounds
The result's identifiers
Result code in IS VaVaI
<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F61388963%3A_____%2F22%3A00553163" target="_blank" >RIV/61388963:_____/22:00553163 - isvavai.cz</a>
Alternative codes found
RIV/00216208:11310/22:10443949
Result on the web
<a href="https://doi.org/10.1016/j.jmr.2022.107149" target="_blank" >https://doi.org/10.1016/j.jmr.2022.107149</a>
DOI - Digital Object Identifier
<a href="http://dx.doi.org/10.1016/j.jmr.2022.107149" target="_blank" >10.1016/j.jmr.2022.107149</a>
Alternative languages
Result language
angličtina
Original language name
31P NMR parameters may facilitate the stereochemical analysis of phosphorus-containing compounds
Original language description
Conventional Nuclear Magnetic Resonance (NMR) analysis relies on H-H/C-H interactions. However, these interactions are sometimes insufficient for an accurate and precise NMR analysis. In this study, we show that 31P NMR parameters can provide critical structural insights into the stereochemistry of phosphorus-containing compounds. For this purpose, we prepared a set of model phosphorus-based proline derivatives, separated diastereoisomers, and determined their absolute configuration by single-crystal X-ray diffraction. After supplementing these results by electronic circular dichroism (ECD) spectroscopy, we combined experimental data and DFT calculations from our model compounds to perform a detailed conformational analysis, thereby determining their relative configuration. Overall, our findings establish an experimental paradigm for combining 31P NMR spectroscopy with other optical methods to facilitate the stereochemical analysis of phosphorus-containing compounds.
Czech name
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Czech description
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Classification
Type
J<sub>imp</sub> - Article in a specialist periodical, which is included in the Web of Science database
CEP classification
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OECD FORD branch
10406 - Analytical chemistry
Result continuities
Project
Result was created during the realization of more than one project. More information in the Projects tab.
Continuities
I - Institucionalni podpora na dlouhodoby koncepcni rozvoj vyzkumne organizace
Others
Publication year
2022
Confidentiality
S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů
Data specific for result type
Name of the periodical
Journal of Magnetic Resonance
ISSN
1090-7807
e-ISSN
1096-0856
Volume of the periodical
336
Issue of the periodical within the volume
March
Country of publishing house
US - UNITED STATES
Number of pages
9
Pages from-to
107149
UT code for WoS article
000783431600002
EID of the result in the Scopus database
2-s2.0-85123858544