RESEARCH GROUP:
Centre for Molecular and Crystal Structures
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PRINCIPAL INVESTIGATOR:
RNDr. Ivana Císařová, CSc.
+420 221 95 1249
ivana.cisarova@natur.cuni.cz
Dept. of Inorganic Chemistry,
Faculty of Science, Charles University,
Hlavova 8, Prague 2, room 240, 241
CZ–128 00, Czech Republic, EU
GROUP MEMBERS:
Doc. RNDr. Róbert Gyepes, Ph.D.
MAIN SCIENTIFIC INTEREST:
Ubi materia, ibi geometria
Determination of geometric parameters (distances and angles) between atoms in the crystals.
The used analytical method is single crystal structure determination. The experiment is based on scattering of X-ray beams on electrons in the crystal (1) leading to diffraction pattern (2), which is reconstructed into electron density map (3) and consequently in 3D model of the molecule (4) (building blocks of the crystal). Eligible compounds for the study in our laboratory are all kinds of inorganic (+ minerals) and organic (except proteins and DNA) samples.
INSTRUMENTATION:
Small Molecule Single Crystal Diffraction is performed on Bruker D8 VENTURE equipped with PHOTONIII CMOS detector, high brilliance Mo/Cu IµS microfocus X-ray sources, and Oxford Cryosystream 800 series low temperature device
EXPECTATIONS & OFFERS
The laboratory is considered to be low-threshold facility, so we offer our expertise of crystal structure determination for the academic study. Since the year 2000 more than 10 000 crystal was measured in the facility, their structure became a part of more than 900 publications.
SELECTED PUBLICATIONS (since 2020):
Paramagnetic encoding of molecules
Kretschmer, J ; David, T; Dracinsky, M; Socha, O; Jirak, D; Vit, M; Jurok, R; Kuchar, M; Cisarova, I; Polasek, M.
NATURE COMMUNICATIONS, 13, 1, 3179 (2022) – DOI: 10.1038/s41467-022-30811-9
Synthesis and Reactivity of Multinuclear Gold Complexes with (Diphenylphosphanyl)ferrocene and Oxygen Ligands
Schulz, J; Cisarova, I; Gyepes, R; Stepnicka, P
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION, 60, 13, 6992-6996 (2021) – DOI: 10.1002/anie.202014359
Regular Two-Dimensional Arrays of Surface-Mounted Molecular Switches: Switching Monitored by UV–vis and NMR Spectroscopy
Hurtado, CS; Bastien, G; Masat, M; Stocek, JR; Dracinsky, M; Roncevic; Cisarova, I; Rogers, CT; Kaleta, J
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 142, 20, 9337-9351 (2020) – DOI: 10.1021/jacs.0c01753