On the electronic structure of mer,trans-[RuCl3(1H-indazole) 2(NO)], a hypothetical metabolite of the antitumor drug candidate KP1019: An experimental and DFT study

European Journal of Inorganic Chemistry

Volumn , Issue 14, 2013, Pages 2505-2519

  Bučinský, Lukas ^a   Büchel, Gabriel E ^b   Ponec, Robert ^c   Rapta, Peter ^a   Breza, Martin ^a   Kožíšek, Jozef ^a   Gall, Marian ^a   Biskupič, Stanislav ^a   Fronc, Marek ^a   Schiessl, Katharina ^b   Cuzan, Olesea ^d   Prodius, Denis ^d   Turta, Constantin ^d   Shova, Sergiu ^d,e   Zaja̧c, Dariusz A ^f,g   Arion, Vladimir B ^b  

^a SLOVAK UNIVERSITY OF TECHNOLOGY   (Slovakia)

^b UNIVERSITY OF VIENNA   (Austria)

^c INSTITUTE OF CHEMICAL PROCESS FUNDAMENTALS   (Czech Republic)

^d INSTITUTE OF CHEMISTRY   (Moldova)

^e MOLDOVA STATE UNIVERSITY   (Moldova)

^f HAHN MEITNER INSTITUT   (Germany)

^g DESY   (Germany)

Author keywords

Antitumor agents; Density functional calculations; Electronic structure; Nitrogen ligands; Nitrogen oxides; Ruthenium

Indexed keywords

ACETONE; CHLORINE COMPOUNDS; CYCLIC VOLTAMMETRY; DENSITY FUNCTIONAL THEORY; ELECTRON SPIN RESONANCE SPECTROSCOPY; ELECTRONIC STRUCTURE; MAGNETIC SUSCEPTIBILITY; NITROGEN OXIDES; NUCLEAR MAGNETIC RESONANCE; QUANTUM THEORY; RUTHENIUM COMPOUNDS; ULTRAVIOLET VISIBLE SPECTROSCOPY; X RAY DIFFRACTION;

ANDERSONS; ANTITUMOR DRUGS; ANTITUMOUR AGENTS; DENSITY-FUNCTIONAL CALCULATIONS; DFT STUDY; DRUG CANDIDATES; ELECTRONIC.STRUCTURE; INDAZOLE; NITROGEN LIGAND; OXIDATION STATE;

RUTHENIUM;

EID: 84877267609     PISSN: 14341948     EISSN: 10990682     Source Type: Journal    
DOI: 10.1002/ejic.201201526     Document Type: Article

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