Search Results - "Boča, Roman"

Field Supported Slow Magnetic Relaxation in a Mononuclear Cu(II) Complex by Boča, Roman, Rajnák, Cyril, Titiš, Ján, Valigura, Dušan

“…A mononuclear hexacoordinate Cu­(II) complex shows a field induced slow magnetic relaxation that is not facilitated by an energy barrier to spin reversal due…”
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Magnetostructural D Correlations in Hexacoordinated Cobalt(II) Complexes by Titiš, Ján, Boča, Roman

“…The magnetostructural D correlation for hexacoordinated cobalt(II) complexes is outlined. The structural and magnetic properties of a series of mononuclear…”
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Unexpected behavior of single ion magnets by Boča, Roman, Rajnák, Cyril

“…•Slow magnetic relaxation for mononuclear Co(II) complexes is rather common.•Slow magnetic relaxation applies also in complexes with positive or negligible…”
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Reciprocating thermal behavior in the family of single ion magnets by Rajnák, Cyril, Boča, Roman

“…[Display omitted] •Non-traditional thermal behavior in the single-ion magnets.•High-frequency relaxation channel is shortened on further cooling.•Phonon…”
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Single-Molecule Magnetism in a Pentacoordinate Cobalt(II) Complex Supported by an Antenna Ligand by Rajnák, Cyril, Titiš, Ján, Fuhr, Olaf, Ruben, Mario, Boča, Roman

“…Pentacoordinate complex [CoL3Cl2] with a tridentate antenna-like ligand L3 forms a dimer held by short π–π stacking with head-to-head contacts at 3.4 Å. The…”
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Simple Mononuclear Cobalt(II) Complex: A Single-Molecule Magnet Showing Two Slow Relaxation Processes by Boča, Roman, Miklovič, Jozef, Titiš, Ján

“…Complex [Co(PPh3)2Br2] possesses intermediate magnetic anisotropy, D/hc = −13 cm–1. It displays superparamagnetic behavior either in the absence of the…”
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Magnetostructural D Correlation in Nickel(II) Complexes: Reinvestigation of the Zero-Field Splitting by Titis, Ján, Boca, Roman

“…The magnetostructural D correlation interrelates the zero-field-splitting parameter D withdrawn from the magnetic data with the structural tetragonality…”
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Breaking the Magic Border of One Second for Slow Magnetic Relaxation of Cobalt-Based Single Ion Magnets by Boča, Roman, Rajnák, Cyril, Moncol, Ján, Titiš, Ján, Valigura, Dušan

“…Instead of assembling complex clusters and/or expensive lanthanide-based systems as single ion magnets, we are focusing on mononuclear cobalt­(II) systems…”
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Limitations on the D‑Parameter in Ni(II) Complexes by Titiš, Ján, Rajnák, Cyril, Boča, Roman

“…A number of hexacoordinate, pentacoordinate, and tetracoordinate Ni­(II) complexes have been investigated by applying ab initio CASSCF + NEVPT2 + SOC…”
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Ab initio study of molecular properties of l-tyrosine by Boča, Roman, Štofko, Juraj, Imrich, Richard

“…Context l -Tyrosine is a naturally occurring agent that acts as a precursor in biosynthesis of monoaminergic neurotransmitters in brain such as dopamine,…”
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Zero-Field Splitting in Pseudotetrahedral Co(II) Complexes: a Magnetic, High-Frequency and -Field EPR, and Computational Study by Idešicová, Monika, Titiš, Ján, Krzystek, J, Boča, Roman

“…Six pseudotetrahedral cobalt(II) complexes of the type [CoL2Cl2], with L = heterocyclic N-donor ligand, have been studied in parallel by magnetometry, and…”
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Above Room Temperature Spin Transition in Thermally Stable Mononuclear Fe(III) Complexes by Dey, Bijoy, Roy, Subhadip, Titiš, Ján, Boča, Roman, Bera, Siba Prasad, Mondal, Arpan, Konar, Sanjit

“…Two solvent-free mononuclear Fe­(III) complexes [Fe­(L)2]­NO3 (1) and [Fe­(L)2]­ClO4 (2) have been synthesized by employing a new π-conjugated azo-phenyl…”
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Electronic structure and molecular properties of nitisinone and mesotrione in water by Imrich, Richard, Štofko, Juraj, Boča, Roman, Rajnák, Cyril

“…Context Nitisinone is a medium-sized organic molecule that is used in treating hereditary tyrosinemia type 1 (HT-1). The structurally analogous mesotrione,…”
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Field-Assisted Slow Magnetic Relaxation in a Six-Coordinate Co(II)–Co(III) Complex with Large Negative Anisotropy by Buvaylo, Elena A, Kokozay, Vladimir N, Vassilyeva, Olga Yu, Skelton, Brian W, Ozarowski, Andrew, Titiš, Ján, Vranovičová, Beáta, Boča, Roman

“…The reaction of Co­(CH3COO)2·4H2O with the Schiff base ligand LH4 derived from o-vanillin and tris­(hydroxymethyl)­aminomethane produces the dinuclear…”
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Molecular properties of betahistine—an ab initio study by Boča, Roman, Štofko, Juraj

“…Betahistine serves as a medicament widely used in curing some diseases related to the nervous system. Its molecular properties have been studied by ab initio…”
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Ab initio study of the biogenic amino acids by Vranovičová, Beata, Boča, Roman

“…Ten amino acids have been subjected to the quantum chemical calculations using the ab initio MO-LCAO-SCF calculations. When the geometry optimization started…”
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Slow Magnetic Relaxation in Cobalt(II) Field-Induced Single-Ion Magnets with Positive Large Anisotropy by Świtlicka, Anna, Machura, Barbara, Penkala, Mateusz, Bieńko, Alina, Bieńko, Dariusz C, Titiš, Ján, Rajnák, Cyril, Boča, Roman, Ozarowski, Andrew, Ozerov, Mykhaylo

“…Three pentacoordinate complexes of the type [Co­(pypz)­X2], where pypz is a tridentate ligand 2,6-bis­(pyrazol-1-yl)­pyridine and X = Cl– (1), NCS– (2), and…”
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Syntheses, Structures and Magnetic Properties of Ferromagnetically/Antiferromagnetically Coupled Penta‐ and Hexanuclear Azido‐Bridged Nickel(II) Coordination Compounds by Panja, Anangamohan, Adak, Sarmistha, Brandão, Paula, Dlháň, Ľubor, Boča, Roman

“…The use of the Schiff base ligand (HL) derived from 2,6‐diformyl‐4‐methylphenol and N,N‐dimethyldipropylenetriamine in nickel(II) coordination chemistry has…”
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Molecular properties of linear amino acids in water by Boča, Roman, Imrich, Richard, Štofko, Juraj, Vranovičová, Beáta, Rajnák, Cyril

“…Four linear amino acids of increased separation of the carboxyl and amino groups, namely glycine (aminoacetic acid), β-alanine (3-aminopropanoic acid), GABA…”
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Field‐Induced Slow Magnetic Relaxation in Mononuclear Tetracoordinate Cobalt(II) Complexes Containing a Neocuproine Ligand by Smolko, Lukáš, Černák, Juraj, Kuchár, Juraj, Rajnák, Cyril, Titiš, Ján, Boča, Roman

“…The mononuclear tetracoordinate [Co(dmphen)X2] (dmphen = 2,9‐dimethyl‐1,10‐phenanthroline = neocuproine; X = Cl, Br, I) complexes were prepared by a…”
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