Rational Design of Single-Ion Magnets – Computational Chemistry Approach
Конференцијски прилог (Објављена верзија)
Метаподаци
Приказ свих података о документуАпстракт
In this talk, the computational study of magnetic anisotropy in a series of transition metal complexes will be presented when changing the metal ion or the ligands in a controlled way. We will discuss the influences of coordination number, molecular symmetry, ligand field strength, spin-orbit coupling, spin and oxidation states, redox potential, spin and charge localization, electronic degeneracies, etc. A fundamental understanding of all these factors is a prerequisite for fulfilling our ambition - to develop a new generation of single-ion magnets.
Кључне речи:
single-ion magnets / bi-stability / Zero-Field-Splitting / computational chemistry / transition metal complexesИзвор:
Program and book of abstracts - Serbian Ceramics Society Conference - Advanced Ceramics and Application XI, New Frontiers in Multifunctional Material Science and Processing,18-20 th September 2023. Belgrade, Serbia, 2023, 29-29Издавач:
- Serbian Ceramic Society
Финансирање / пројекти:
- TMMagCat - Tailoring Molecular Magnets and Catalysts Based on Transition Metal Complexes (RS-ScienceFundRS-Ideje-7750288)
Напомена:
- Plenary talk - M. Zlatar
Институција/група
IHTMTY - CONF AU - Zlatar, Matija AU - Gruden, Maja PY - 2023 UR - https://cer.ihtm.bg.ac.rs/handle/123456789/6544 AB - In this talk, the computational study of magnetic anisotropy in a series of transition metal complexes will be presented when changing the metal ion or the ligands in a controlled way. We will discuss the influences of coordination number, molecular symmetry, ligand field strength, spin-orbit coupling, spin and oxidation states, redox potential, spin and charge localization, electronic degeneracies, etc. A fundamental understanding of all these factors is a prerequisite for fulfilling our ambition - to develop a new generation of single-ion magnets. PB - Serbian Ceramic Society C3 - Program and book of abstracts - Serbian Ceramics Society Conference - Advanced Ceramics and Application XI, New Frontiers in Multifunctional Material Science and Processing,18-20 th September 2023. Belgrade, Serbia T1 - Rational Design of Single-Ion Magnets – Computational Chemistry Approach SP - 29 EP - 29 UR - https://hdl.handle.net/21.15107/rcub_cer_6544 ER -
@conference{ author = "Zlatar, Matija and Gruden, Maja", year = "2023", abstract = "In this talk, the computational study of magnetic anisotropy in a series of transition metal complexes will be presented when changing the metal ion or the ligands in a controlled way. We will discuss the influences of coordination number, molecular symmetry, ligand field strength, spin-orbit coupling, spin and oxidation states, redox potential, spin and charge localization, electronic degeneracies, etc. A fundamental understanding of all these factors is a prerequisite for fulfilling our ambition - to develop a new generation of single-ion magnets.", publisher = "Serbian Ceramic Society", journal = "Program and book of abstracts - Serbian Ceramics Society Conference - Advanced Ceramics and Application XI, New Frontiers in Multifunctional Material Science and Processing,18-20 th September 2023. Belgrade, Serbia", title = "Rational Design of Single-Ion Magnets – Computational Chemistry Approach", pages = "29-29", url = "https://hdl.handle.net/21.15107/rcub_cer_6544" }
Zlatar, M.,& Gruden, M.. (2023). Rational Design of Single-Ion Magnets – Computational Chemistry Approach. in Program and book of abstracts - Serbian Ceramics Society Conference - Advanced Ceramics and Application XI, New Frontiers in Multifunctional Material Science and Processing,18-20 th September 2023. Belgrade, Serbia Serbian Ceramic Society., 29-29. https://hdl.handle.net/21.15107/rcub_cer_6544
Zlatar M, Gruden M. Rational Design of Single-Ion Magnets – Computational Chemistry Approach. in Program and book of abstracts - Serbian Ceramics Society Conference - Advanced Ceramics and Application XI, New Frontiers in Multifunctional Material Science and Processing,18-20 th September 2023. Belgrade, Serbia. 2023;:29-29. https://hdl.handle.net/21.15107/rcub_cer_6544 .
Zlatar, Matija, Gruden, Maja, "Rational Design of Single-Ion Magnets – Computational Chemistry Approach" in Program and book of abstracts - Serbian Ceramics Society Conference - Advanced Ceramics and Application XI, New Frontiers in Multifunctional Material Science and Processing,18-20 th September 2023. Belgrade, Serbia (2023):29-29, https://hdl.handle.net/21.15107/rcub_cer_6544 .