Zobrazeno 1 - 10
of 465
pro vyhledávání: '"Roman Boča"'
Publikováno v:
ACS Omega, Vol 9, Iss 34, Pp 36086-36098 (2024)
Externí odkaz:
https://doaj.org/article/9fdf65325b2942a39668524e795fde3b
Publikováno v:
Inorganics, Vol 11, Iss 12, p 452 (2023)
Functional dependence of the axial zero-field splitting parameter D with respect to a properly chosen geometrical parameter (Dstr) in metal complexes is termed the magnetostructural D-correlation. In mononuclear hexacoordinate Ni(II) complexes with t
Externí odkaz:
https://doaj.org/article/fc6ac4ec43cd4379ae400b02defdbc5c
Publikováno v:
Magnetochemistry, Vol 9, Iss 11, p 226 (2023)
The involvement of spin symmetry in the evaluation of zero-field energy levels in polynuclear transition metal and lanthanide complexes facilitates the division of the large-scale Hamiltonian matrix referring to isotropic exchange. This method is bas
Externí odkaz:
https://doaj.org/article/fc579b76ed074d84bc89fc7fe91fd084
Publikováno v:
Magnetochemistry, Vol 9, Iss 4, p 100 (2023)
A collection of 24 hexacoordinate Co(II) complexes was investigated by ab initio CASSCF + NEVPT2 + SOC calculations. In addition to the energies of spin–orbit multiplets (Kramers doublets, KD) their composition of the spins is also analyzed, along
Externí odkaz:
https://doaj.org/article/9c2dda0214364fd18a22b44f88310085
Publikováno v:
Inorganics, Vol 10, Iss 8, p 116 (2022)
Energy levels of pentacoordinate d5 to d9 complexes were evaluated according to the generalized crystal field theory at three levels of sophistication for two limiting cases of pentacoordination: trigonal bipyramid and tetragonal pyramid. The electro
Externí odkaz:
https://doaj.org/article/8fcf96d01fe7465494e856bd331c3958
Autor:
Fikre Elemo, Sören Schlittenhardt, Taju Sani, Cyril Rajnák, Wolfgang Linert, Roman Boča, Madhu Thomas, Mario Ruben
Publikováno v:
Inorganics, Vol 10, Iss 8, p 105 (2022)
A mononuclear Co(II) complex of a Schiff base ligand derived from 5-Bromo-vanillin and 4-aminoantipyrine, that has a compressed tetragonal bipyramidal geometry and exhibiting field-induced slow magnetic relaxation, has been synthesized and characteri
Externí odkaz:
https://doaj.org/article/5c21913b1af64d4d9c742285f91fbef0
Publikováno v:
The Journal of Physical Chemistry A. 127:3256-3264
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::51c6d9525051a26d4b248d85ab09836a
https://doi.org/10.1021/acs.jpca.3c00599
https://doi.org/10.1021/acs.jpca.3c00599
Autor:
Mamo Gebrezgiabher, Sören Schlittenhardt, Cyril Rajnák, Assefa Sergawie, Mario Ruben, Madhu Thomas, Roman Boča
Publikováno v:
Inorganics, Vol 10, Iss 5, p 66 (2022)
A tetranuclear dysprosium Schiff base complex was isolated by reacting dysprosium chloride with 2-hydroxy-3-methoxybenzaldehyde and 2-(aminomethyl)pyridine in-situ under basic conditions. The isolated Dy(III) complex was characterized by elemental an
Externí odkaz:
https://doaj.org/article/4acdcf9c7b9d4bb4b55cd932bb8efa93
Autor:
Romana Mičová, Cyril Rajnák, Ján Titiš, Erika Samoľová, Michal Zalibera, Alina Bieńko, Roman Boča
Publikováno v:
Chemical Communications. 59:2612-2615
AC susceptibility confirms a field supported slow magnetic relaxation in which the over-barrier Orbach relaxation process does not play a role. Both systems possess two or three slow relaxation channels.
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::e80addb51a10e006e6391b708250348f
https://doi.org/10.1039/d2cc06510j
https://doi.org/10.1039/d2cc06510j
Publikováno v:
Inorganic Chemistry. 61:17848-17854
Shapeness of the coordination polyhedra is quantified by a procedure that moves arbitrary Cartesian coordinates of the complex to the origin, rotates them, reorders them, and compares with the predefined model complex of exact symmetry by calculating
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::6e4adbc99ce7aac62d02787918381846
https://doi.org/10.1021/acs.inorgchem.2c03176
https://doi.org/10.1021/acs.inorgchem.2c03176