Can we interpret NMR spectra of paramagnetic systems? Some hints for Ru(III) complexes
The result's identifiers
Result code in IS VaVaI
<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F00216224%3A14740%2F16%3A00088197" target="_blank" >RIV/00216224:14740/16:00088197 - isvavai.cz</a>
Result on the web
<a href="http://www.icho.edu.pl/SympNMR2016/" target="_blank" >http://www.icho.edu.pl/SympNMR2016/</a>
DOI - Digital Object Identifier
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Alternative languages
Result language
angličtina
Original language name
Can we interpret NMR spectra of paramagnetic systems? Some hints for Ru(III) complexes
Original language description
Temperature-dependent 1H and 13C NMR experiments are used to decompose the total experimental NMR chemical shifts to the orbital (temperature-independent) and paramagnetic (temperature-dependent) contributions using Curie plots (chemical shift as a function of 1/T). Relativistic DFT calculations are demonstrated to be a powerful tool for interpreting the paramagnetic 1H and 13C NMR spectra of potential ruthenium-based metallodrugs (derived from NAMI) in the frame of chemical-bonding concepts.
Czech name
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Czech description
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Classification
Type
O - Miscellaneous
CEP classification
CF - Physical chemistry and theoretical chemistry
OECD FORD branch
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Result continuities
Project
<a href="/en/project/GA15-09381S" target="_blank" >GA15-09381S: Structure and properties of paramagnetic ruthenium complexes for designing new anticancer drugs</a><br>
Continuities
P - Projekt vyzkumu a vyvoje financovany z verejnych zdroju (s odkazem do CEP)
Others
Publication year
2016
Confidentiality
S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů