Laboratory of Nuclear Magnetic Resonance Spectroscopy
LABORATORY OF NUCLEAR MAGNETIC RESONANCE SPECTROSCOPY
Laboratory head:
Prof. dr hab. Karol Jackowski
Senior lecturer:
- Dr hab. Włodzimierz Makulski
Other research workers:
- Dr Marcin Wilczek
- Dr Piotr Garbacz
- Dr Bożena Adrjan
Research topics:
NMR investigations in the gas phase focused on the components of Earth atmosphere. Studies of nuclear magnetic shielding and spin-spin coupling in isolated molecules. Measurements of isotopic and intermolecular effects in NMR spectra. Determination of the accurate values of nuclear magnetic dipole moments. Direct measurements of nuclear magnetic shielding in investigated samples. NMR experiments with the influence of an external electric field explored for the direct determination of molecular chirality. Quantum information processing.
Major scientific achievements:
Selected recent publications:
– Jackowski K., Jaszuński M., Wilczek M., “Alternative approach to the standardization of NMR spectra. Direct measurements of nuclear magnetic shielding in molecules”, J. Phys. Chem. A, 114 (2010) 2471.
– Garbacz P., Piszczatowski K., Jackowski K., Moszyński R., Jaszuński M., „Weak intermolecular interactions in gas-phase NMR”, J. Chem. Phys. 135 (2011) 084310.
– Lantto P., Jackowski K., Makulski W., Olejniczak M., Jaszuński M., „NMR shielding constants in PH3, absolute shielding scale and the nuclear magnetic moment of 31P”, J. Phys. Chem. A 115 (2011) 10617.
– Jackowski K., Makulski W., “13C shielding scale for MAS NMR spectroscopy”, Magn. Reson. Chem. 49 (2011) 600.
– Makulski W., Szyprowska A., Jackowski K., “Precise determination of the 13C nuclear magnetic moment from 13C, 3He and 1H NMR measurements in the gas phase”, Chem. Phys. Letters 511, (2011) 224.
– Jaszuński M., Antušek A., Garbacz P., Jackowski K., Makulski W., „The determination of accurate nuclear magnetic dipole moments and direct measurements of NMR shielding constants”, Prog. Nucl. Magn. Reson. Spect. 67 (2012) 49.
– Garbacz P., Jackowski K., Makulski W., Wasylishen R.E., „Nuclear magnetic shielding for hydrogen in selected isolated molecules, J. Phys. Chem. A 116 (2012) 11896.
– Helgaker T., Jaszuński M., Garbacz P., Jackowski K., „The NMR indirect nuclear spin-spin coupling constant of the HD molecule”, Mol. Phys. 110 (2012) 2611.
– Jaszuński M., Repisky M., Demissie T.B., Komorovsky S., Malkin E., Ruud K., Garbacz P., Jackowski K., Makulski W., „Spin-rotation and NMR shielding constants in HCl”, J. Chem. Phys. 139 (2013) 234402.
– Garbacz P., “Spin-spin coupling in the HD molecule determined from 1H and 2H NMR experiments in the gas-phase”, Chem. Phys. 443 (2014) 1.
– Makulski W., “83Kr nuclear magnetic moment in terms of that of 3He”, Magn. Reson. Chem. 52 (2014) 430.
– Garbacz P., Makulski W., Jaszuński M., „The NMR spin-spin coupling constant 1J(31P, 1H) in an isolated PH3 molecule”, Phys. Chem. Chem. Phys. 16 (2014) 21559.
– Garbacz P., Price W.S., “1H NMR diffusion studies of water self-diffusion in supercooled aqueous sodium chloride solutions”, J. Phys. Chem. A 118 (2014) 3307.
– Garbacz P., Terskikh V.V., Ferguson M.J., Bernard G.M., Kedziorek M., Wasylishen R.E., “Experimental characterization of the hydride 1H shielding tensors for HIrX2(PR3)2 and HRhCl2(PR3)2: extremely shielded hydride protons with unusually large magnetic shielding anisotropies”, J. Phys. Chem. A 118 (2014) 1203.
– Jaremko Ł., Jaremko M., Buczek A., Broda M.A., Kupka T., Jackowski K., ”1H and 13C shielding measurements in comparison with DFT calculations performed for two 2-(acetyloamino)-N,N-dimethyl-3-phenylacrylamide isomers”, Chem. Phys. Lett. 627, (2015) 1.
– Makulski W., „129Xe and 131Xe Nuclear Magnetic Dipole Moments from Gas Phase NMR Spectra” , Magn.Reson.Chem., 53 (2015) 273.
– Garbacz P., Jackowski K., “NMR shielding of helium-3 in the micropores of zeolites”, Micropor. Mesopor. Mat. 205 (2015) 52.
– Garbacz P., Cukras J., Jaszuński M., “A theoretical study of potentially observable chirality-sensitive NMR effects in molecules”, Phys. Chem. Chem. Phys. 17 (2015) 22642
– Garbacz P., Chotkowski M., Rogulski Z., Jaszunski M., “Indirect Spin−Spin Coupling Constants in the Hydrogen Isotopologues”, J.Phys.Chem. A 120 (2016) 5549.
– Garbacz P., Fischer P., Krämer S., “A loop-gap resonator for chirality-sensitive nuclear magneto-electric resonance (NMER)”, J. Chem. Phys. 145 (2016) 104201.
– Garbacz P., “Nuclear relaxation in an electric field enables the determination of isotropic magnetic shielding”, J. Chem. Phys. 145 (2016) 064202.
– Adrjan B., Makulski W., Jackowski K., Demissie T.B., Ruud K., Antušek A., Jaszuński M., “NMR absolute shielding scale and nuclear magnetic dipole moment of 207Pb”, Phys. Chem. Chem. Phys. 18 (2016) 16483.
Chapters in books:
– Jaszuński M., Jackowski K., „Nuclear magnetic dipole moments from NMR spectra – quantum chemistry and experiment” w “Precision Physics of Simple Atoms and Molecules”, Series: Lecture Notes in Physics, vol. 745, Eds. Karshenboim S.G., pp. 233-260, Springer- Verlag, Berlin Heidelberg (2008). ISBN: 978-3-540-75478-7.
– Jackowski K., Garbacz P., “Nuclear magnetic moments and NMR measurements of shielding”, Chapter 3, w “Gas Phase NMR”, Eds. K. Jackowski and M. Jaszuński, pp. 95-125, Royal Society of Chemistry, Cambridge (2016). ISBN: 978-1-78262-161-4.
– Makulski W., “17O and 33S NMR spectroscopy of small molecules in the gas phase”, Chapter 5, w “Gas Phase NMR”, Eds. K. Jackowski and M. Jaszuński, pp. 152-185, Royal Society of Chemistry, Cambridge (2016). ISBN: 978-1-78262-161-4.
Books:
-“Gas Phase NMR”, Eds. K. Jackowski and M. Jaszuński, Royal Society of Chemistry, Cambridge (2016). ISBN: 978-1-78262-161-4.
Selected topics of Bachelor and Master theses:
For B.Sc.,
-„Shielding of 19F nuclei in selected fluorobenzenes”,
-„Observation of the spinor behavior by NMR spectroscopy”
-„NMR spectra of atmospheric gases in liquid solutions”
-„14N i 15N NMR measurements for aqueous solutions of ammonium salts”
For M.Sc.,
-„Absolute shielding scale of 19F nuclei from the measurements of gaseous CF4 and CH3F with 3He addition”,
-„NMR implementation of the quantum Deutsch-Jozsy algorithm”
-„Quantum teleportation for the three-spin system”
-„EPR studies of 17O2 in the gas phase”
Important research projects and international collaboration
-Actual grant NCN OPUS entitled: „Studies of atmospheric gases with the application of nuclear magnetic resonance spectroscopy”, No UMO-2015/19/B/ST4/03757 from 8.07.2016 till 7.07.2019 (principal investigator: Prof. Dr. hab. K. Jackowski)
-Actual grant NCN SONATA entitled:”New method for direct chirality discrimination: nuclear magnetic resonance in a time-dependent electric field”, No 2015/19/D/ST4/00953 from 28.06.2016 till 27.06.2018 (principal investigator: Dr. P. Garbacz
-Informal scientific collaboration with research laboratories in other countries: University of Alberta (Edmonton, Canada), University of Western Sydney (Sydney, Australia), Max Planck Institute for Intelligent Systems (Stuttgart, Germany), Laboratoire National des Champs Magnétiques Intenses (Grenoble, France) and University of Cambridge (Cambridge, Great Britain).
Important prizes and awards:
- Gold Medal for Long-Lasting Service (2009, Prof. Dr. hab. K. Jackowski)
- Prize of Warsaw University Holiday (2009, 2010 i 2013, Dr. M. Wilczek)
- Prize of PTChem of J. Rychlewskiego (2011, Dr. P. Garbacz)
- Scientific Prize of 2nd Rank, Faculty of Chemistry, UW (2012, Dr. hab. W. Makulski).
- Gold Cross of Service (2012, Prof. Dr. hab. K. Jackowski)
- Scientific Prize of Prof. W. Świętosławski
- (2013, Prof. Dr. hab. K. Jackowski)
- Gold Medal for Long-Lasting Service (2014, Dr. hab. W. Makulski)
International activity:
– elected member of the International Society of Magnetic Resonance (ISMAR) Council in years 2007-2013 (Prof. Dr. hab. K. Jackowski),
– in Editorial Board of the International Journal of Spectroscopy from 2008 (Prof. Dr. hab. K. Jackowski),
– Visiting Professor at the University of Western Sydney (Sydney, Australia) in 2011 (Prof. Dr. hab. K. Jackowski)