Project information
Struktura a dynamika komplexů přechodných kovů a jejich interakce s kavitandy (METALIN)

Information

This project doesn't include Institute of Computer Science. It includes Central European Institute of Technology. Official project website can be found on muni.cz.

Project Identification

GAP206/12/0539

Project Period

1/2012 - 12/2014

Investor / Pogramme / Project type

Czech Science Foundation

Standard Projects

MU Faculty or unit

Central European Institute of Technology

prof. RNDr. Radek Marek, Ph.D.
Mgr. Martin Babinský, Ph.D.
RNDr. Petr Kulhánek, Ph.D.
doc. Mgr. Markéta Munzarová, Dr. rer. nat.
doc. Mgr. Michal Straka, Ph.D.
Mgr. Jan Vícha, Ph.D.

Cílem projektu je rozvoj a implementace racionálního přístupu ke strukturní a dynamické charakterizaci komplexů přechodných kovů a jejich supramolekulárních útvarů s kavitandy pomocí experimentální NMR spektroskopie, molekulového modelování a relativistických výpočtů NMR parametrů.

Publications

Total number of publications: 12

2015

Understanding the electronic factors responsible for ligand spin-orbit NMR shielding in transition-metal complexes

VÍCHA Jan FOROUTANNEJAD Cina PAWLAK Tomasz MUNZAROVÁ Markéta STRAKA Michal MAREK Radek

Article in Periodical

Journal of Chemical Theory and Computation, year: 2015, volume: 11, edition: 4, DOI

2014

Design of Stereoelectronically Promoted Super Lewis Acids and Unprecedented Chemistry of Their Complexes

FOROUTANNEJAD Cina VÍCHA Jan MAREK Radek

Article in Periodical

Chemistry - A European Journal, year: 2014, volume: 20, edition: 36, DOI
Dimeric Pd(II) and Pt(II) chloride organometallics with 2-phenylpyridine and their solvolysis in dimethylsulfoxide

PAWLAK Tomasz NIEDZIELSKA Daria VÍCHA Jan MAREK Radek PAZDERSKI Leszek

Article in Periodical

Journal of Organometallic Chemistry, year: 2014, volume: 759, edition: Juny, DOI
Mechanism of Spin-Orbit Effects on the Ligand NMR Chemical Shift in Transition-Metal Complexes: Linking NMR to EPR

VÍCHA Jan STRAKA Michal MUNZAROVÁ Markéta MAREK Radek

Article in Periodical

Journal of Chemical Theory and Computation, year: 2014, volume: 10, edition: 4, DOI
Toward a consistent interpretation of the QTAIM: Tortuous link between chemical bonds, interactions and bond/line paths

FOROUTANNEJAD Cina SHAHBAZIAN Shant MAREK Radek

Article in Periodical

Chemistry - A European Journal, year: 2014, volume: 20, edition: 32, DOI

2013

A relativistic DFT methodology for calculating the structures and NMR chemical shifts of octahedral platinum and iridium complexes

VÍCHA Jan PATZSCHKE Michael MAREK Radek

Article in Periodical

Physical Chemistry Chemical Physics, year: 2013, volume: 15, edition: 20, DOI
All–Metal Aromaticity: Revisiting the Ring Current Model among Transition Metal Clusters

BADRI Zahra PATHAK Shubhrodeep FLIEGL Heike RASHIDI-RANJBAR Parviz BAST Radovan MAREK Radek FOROUTANNEJAD Cina RUUD Kenneth

Article in Periodical

Journal of Chemical Theory and Computation, year: 2013, volume: 9, edition: 11, DOI
Catalytic Oxidation of Aromatic Hydrocarbons by Mono-oxido- alkoxidovanadium(V) Complexes of ONNO Donor Ethylenediamine- bis(phenolate) Ligands

DEBNATH Mainak DUTTA Arpan BISWAS Surajit DAS Kalyan Kumar LEE Hon Man VÍCHA Jan MAREK Radek MAREK Jaromír ALI Mahammad

Article in Periodical

Polyhedron, year: 2013, volume: 63, edition: Oct, DOI
Prediction of relativistic NMR chemical shifts in various heavy transition-metal complexes

VÍCHA Jan MAREK Radek

Appeared in Conference without Proceedings

Year: 2013, type: Appeared in Conference without Proceedings
Relativistic NMR shielding effects in heavy element complexes

VÍCHA Jan

Appeared in Conference without Proceedings

Year: 2013, type: Appeared in Conference without Proceedings