Centrum molekulárních a krystalových struktur

VÝZKUMNÁ SKUPINA:

Centrum molekulárních a krystalových struktur

1	2	3	4

PRINCIPAL INVESTIGATOR:

RNDr. Ivana Císařová, CSc.
+420 221 95 1249
ivana.cisarova@natur.cuni.cz

Katedra anorganické chemie,
Přírodovědecká fakulta Univerzity Karlovy,
Hlavova 8, 128 00  Praha 2, místnosti 240, 241

ČLENOVÉ SKUPINY:

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.   

VYBRANÉ PUBLIKACE (od 2020):

Paramagnetic encoding of molecules
Kretschmer, J ; David, T; Dračínský, M; Socha, O; Jirák, D; Vít, M; Jurok, R; Kuchař, M; Císařová, I; Polášek, 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; Císařová, I; Gyepes, R; Štěpnička, 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; Mašát, M; Štoček, JR; Dračínský, M; Rončević; Císařová, I; Rogers, CT; Kaleta, J
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 142, 20, 9337-9351 (2020) – DOI: 10.1021/jacs.0c01753