Éva Kováts
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View article: Rational Design of Transition Metal Based Molecular Spin State Switches: Tuning the High Spin to Low Spin Transition Rate by Ligand Substitution
Rational Design of Transition Metal Based Molecular Spin State Switches: Tuning the High Spin to Low Spin Transition Rate by Ligand Substitution Open
The effect of substitution in the axial 4' position by electron withdrawing (EW) and donating (ED) groups on the ground and excited state properties of the \feterpy complex is investigated in a systematic study. DFT calculations are used t…
View article: Organometallic Half-Sandwich Complexes of 8-Hydroxyquinoline-Derived Mannich Bases with Enhanced Solubility: Targeting Multidrug Resistant Cancer
Organometallic Half-Sandwich Complexes of 8-Hydroxyquinoline-Derived Mannich Bases with Enhanced Solubility: Targeting Multidrug Resistant Cancer Open
Drug resistance is a major obstacle in cancer treatment. Herein, four novel organometallic complexes, with the general formula [Ru(η6-p-cymene)(HL)Cl]Cl and [Rh(η5-C5Me5)(HL)Cl]Cl, were developed to target multidrug-resistant (MDR) cancer …
View article: Rational Design of Transition Metal Based Molecular Spin State Switches: Tuning the High Spin to Low Spin Transition Rate by Ligand Substitution
Rational Design of Transition Metal Based Molecular Spin State Switches: Tuning the High Spin to Low Spin Transition Rate by Ligand Substitution Open
The effect of substitution in the axial 4' position by electron withdrawing (EW) and donating (ED) groups on the ground and excited state properties of the \feterpy complex is investigated in a systematic study. DFT calculations are used t…
View article: Hydrogen evolution driven by heteroatoms of bidentate N-heterocyclic ligands in iron(<scp>ii</scp>) complexes
Hydrogen evolution driven by heteroatoms of bidentate N-heterocyclic ligands in iron(<span>ii</span>) complexes Open
Non-coordinated heteroatoms in non-symmetrical bidentate N-heterocyclic ligands modulate the reactivity of Fe( ii ) complexes towards acids under reductive conditions.
View article: CCDC 2217969: Experimental Crystal Structure Determination
CCDC 2217969: Experimental Crystal Structure Determination Open
An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available …
View article: CCDC 2217041: Experimental Crystal Structure Determination
CCDC 2217041: Experimental Crystal Structure Determination Open
An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available …
View article: CCDC 2217034: Experimental Crystal Structure Determination
CCDC 2217034: Experimental Crystal Structure Determination Open
An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available …
View article: CCDC 2217049: Experimental Crystal Structure Determination
CCDC 2217049: Experimental Crystal Structure Determination Open
An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available …
View article: CCDC 2217040: Experimental Crystal Structure Determination
CCDC 2217040: Experimental Crystal Structure Determination Open
An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available …
View article: Molecular Engineering to Tune Functionality: The Case of Cl-Substituted [Fe(terpy) <sub>2</sub> ] <sup>2+</sup>
Molecular Engineering to Tune Functionality: The Case of Cl-Substituted [Fe(terpy) <sub>2</sub> ] <sup>2+</sup> Open
The properties of transition-metal complexes and their chemical dynamics can be effectively modified with ligand substitutions, and theory can be a great aid to such molecular engineering. In this paper, we first theoretically explored how…
View article: Molecular engineering to tune functionality: the case of Cl substituted [Fe(terpy)2]2+
Molecular engineering to tune functionality: the case of Cl substituted [Fe(terpy)2]2+ Open
The properties of transition metal complexes and their chemical dynamics can be effectively modified with ligand substitutions, and theory can be a great aid to such molecular engineering. In this paper we first theoretically explore how s…
View article: CCDC 2116179: Experimental Crystal Structure Determination
CCDC 2116179: Experimental Crystal Structure Determination Open
An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available …
View article: CCDC 2116180: Experimental Crystal Structure Determination
CCDC 2116180: Experimental Crystal Structure Determination Open
An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available …
View article: Effect of Metallic and Non-Metallic Additives on the Synthesis of Fullerenes in Thermal Plasma
Effect of Metallic and Non-Metallic Additives on the Synthesis of Fullerenes in Thermal Plasma Open
The effect of metallic (Fe, Cu, Co, Ni, Ti) and non-metallic additives (Si, B) on the formation of fullerenes from graphite powders was studied in radiofrequency (RF) thermal plasma. The main component of the synthesized fullerene mixtures…
View article: CCDC 2068841: Experimental Crystal Structure Determination
CCDC 2068841: Experimental Crystal Structure Determination Open
An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available …
View article: Multi-Centered Solid-Phase Quasi-Intramolecular Redox Reactions of [(Chlorido)Pentaamminecobalt(III)] Permanganate—An Easy Route to Prepare Phase Pure CoMn2O4 Spinel
Multi-Centered Solid-Phase Quasi-Intramolecular Redox Reactions of [(Chlorido)Pentaamminecobalt(III)] Permanganate—An Easy Route to Prepare Phase Pure CoMn2O4 Spinel Open
We synthesized and structurally characterized the previously unknown [Co(NH3)5Cl](MnO4)2 complex as the precursor of CoMn2O4. The complex was also deuterated, and its FT-IR, far-IR, low-temperature Raman and UV-VIS spectra were measured as…
View article: Preparation and characterization of a new chiral metal-organic framework with spiranes
Preparation and characterization of a new chiral metal-organic framework with spiranes Open
Herein we report the first homochiral IRMOF structure with chiral carbocyclic spirolinkers, basic Zn-(R)-spiro[3.3]heptane-2,6-dicarboxylate, named WIG-5. First, (R)-spiro[3.3]heptane-2,6-dicarboxylic acid was prepared involving a HPLC sep…
View article: CCDC 2038457: Experimental Crystal Structure Determination
CCDC 2038457: Experimental Crystal Structure Determination Open
An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available …
View article: CCDC 2038455: Experimental Crystal Structure Determination
CCDC 2038455: Experimental Crystal Structure Determination Open
An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available …
View article: CCDC 2038453: Experimental Crystal Structure Determination
CCDC 2038453: Experimental Crystal Structure Determination Open
An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available …
View article: CCDC 2038454: Experimental Crystal Structure Determination
CCDC 2038454: Experimental Crystal Structure Determination Open
An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available …
View article: CCDC 2038456: Experimental Crystal Structure Determination
CCDC 2038456: Experimental Crystal Structure Determination Open
An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available …
View article: CSD 2044599: Experimental Crystal Structure Determination
CSD 2044599: Experimental Crystal Structure Determination Open
An entry from the Inorganic Crystal Structure Database, the world’s repository for inorganic crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely availabl…