Laboratory for Spectroscopy, Molecular Modeling and Structure Determination
Main Research Fields
- Theoretical and Experimental Vibrational Spectroscopy ( IR, Raman, VCD, ROA and also ECD)
- Diverse Aspects of Molecular Chirality (Measures, chiroptical spectrscopy)
- Computational Modeling of the Molecules Important to Nuclear and Medicinal Chemistry
- Computational Studies on Structure, Conformation, and Intermolecular Interactions Isomerism (Constitutional Isomerism, Endohedral Isomerism, Conformational Analysis etc.)
Laboratory in the Institute of Nuclear Chemistry and Technology was created at the beginning of 2014. It is part of the Centre for Radiochemistry and Nuclear Chemistry department.
It was originally formed in 2008 in the Industrial Chemistry Research Institute, where it was a successor to the IR the laboratory in the Department of Technical Physics headed by Prof. Janina Świętosławska from 1945 until 1970. The Department’s name has been changed several times and has been successively supervised, inter alia, by Assoc. Prof. Krystyna Gorczyńska, Assoc. Prof. Halina Barańska, and Prof. Piotr Wrona. During this time, we extended our research interest by the theoretical modeling of catalytic problems – the main issue of interest to our friend and former boss Assoc. Prof. Marek A. Borowiak.
All this time, Vibrational Spectroscopy was the main interest of the laboratory. First, software written by Prof. Michał H. Jamróz enhanced the efficiency of the experimental IR spectroscopy method. Since the mid 1990s, we started to use the computational techniques of quantum chemistry. Since the death of Prof. Jamróz in 2017, we are not developing the software anymore. Now, the main fields of interest of the laboratory are as listed above.