Pushing the frontiers of paramagnetic NMR spectroscopy for f-element compounds
Public support
Provider
Czech Science Foundation
Programme
Standard projects
Call for proposals
SGA0202600001
Main participants
Masarykova univerzita / Středoevropský technologický institut
Contest type
VS - Public tender
Contract ID
26-20375S
Alternative language
Project name in Czech
Pushing the frontiers of paramagnetic NMR spectroscopy for f-element compounds
Annotation in Czech
The calculation and interpretation of magnetic-resonance parameters for open-shell f-element compounds remain challenging because of the large influence of spin-orbit coupling and thermally accessible excited states. The use of state-of-the-art approaches is hampered by the presence of large zero-field splitting and the multi-reference electronic character of these systems. In this project we will develop new computational protocols for the calculation, analysis, and interpretation of paramagnetic NMR shifts for lanthanide compounds. The developed methods will be calibrated to experimental EPR/NMR measurements and used to elucidate the structure and analyze the magnetic properties of contrast agents for imaging and molecular magnets. The results of the project will push the current frontiers of paramagnetic NMR spectroscopy.
Scientific branches
R&D category
ZV - Basic research
OECD FORD - main branch
10403 - Physical chemistry
OECD FORD - secondary branch
10301 - Atomic, molecular and chemical physics (physics of atoms and molecules including collision, interaction with radiation, magnetic resonances, Mössbauer effect)
OECD FORD - another secondary branch
21001 - Nano-materials (production and properties)
CEP - equivalent branches <br>(according to the <a href="http://www.vyzkum.cz/storage/att/E6EF7938F0E854BAE520AC119FB22E8D/Prevodnik_oboru_Frascati.pdf">converter</a>)
BE - Theoretical physics<br>CF - Physical chemistry and theoretical chemistry<br>JJ - Other materials
Solution timeline
Realization period - beginning
Jan 1, 2026
Realization period - end
Dec 31, 2028
Project status
Z - Beginning multi-year project
Latest support payment
—
Data delivery to CEP
Confidentiality
S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů
Data delivery code
CEP26-GA0-GA-R
Data delivery date
Jun 4, 2026
Finance
Total approved costs
12,506 thou. CZK
Public financial support
12,326 thou. CZK
Other public sources
0 thou. CZK
Non public and foreign sources
180 thou. CZK