Invited lecture: "Elucidating the nature of weak coordination bonds in transition metal complexes: A computational chemistry perspective"
2024
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Конференцијски прилог (Објављена верзија)
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This talk will present our efforts to understand and control metal-ligand bonding based on density functional calculations, including Energy Decomposition Analysis and the Quantum Theory of Atoms in Molecules. The talk will focus on the intricacies of interactions involving weakly coordinated anions such as BF4−, NO3− and ClO4−. These anions are often considered as counterions and only spectators. We will try to answer these questions: Do they interact directly with the metal ion? When do they interact? Is the traditional geometric interpretation sufficient to address these issues? We will show how seemingly inert anions can influence the electronic structure and stability of transition metal complexes.
Кључне речи:
metal-ligand bonding / transition metal complexes / DFT / computational chemistry / chemical bonding / noncovalent interactionsИзвор:
2024Издавач:
- TMMagCat project
Финансирање / пројекти:
- Министарство науке, технолошког развоја и иновација Републике Србије, институционално финансирање - 200026 (Универзитет у Београду, Институт за хемију, технологију и металургију - ИХТМ) (RS-MESTD-inst-2020-200026)
- Министарство науке, технолошког развоја и иновација Републике Србије, институционално финансирање - 200168 (Универзитет у Београду, Хемијски факултет) (RS-MESTD-inst-2020-200168)
- TMMagCat - Tailoring Molecular Magnets and Catalysts Based on Transition Metal Complexes (RS-ScienceFundRS-Ideje-7750288)
Напомена:
- Invited talk (M. Zlatar)
- This presentation was given at: 3rd International Conferences on Noncovalent Interactions (ICNI2024), June 17th to 21st 2024, Belgrade, Serbia
- Abstract: https://cer.ihtm.bg.ac.rs/handle/123456789/7671
Повезане информације:
- Повезани садржај
https://cer.ihtm.bg.ac.rs/handle/123456789/7671
Колекције
Институција/група
IHTMTY - CONF AU - Zlatar, Matija AU - Gruden, Maja PY - 2024 UR - https://cer.ihtm.bg.ac.rs/handle/123456789/7770 AB - This talk will present our efforts to understand and control metal-ligand bonding based on density functional calculations, including Energy Decomposition Analysis and the Quantum Theory of Atoms in Molecules. The talk will focus on the intricacies of interactions involving weakly coordinated anions such as BF4−, NO3− and ClO4−. These anions are often considered as counterions and only spectators. We will try to answer these questions: Do they interact directly with the metal ion? When do they interact? Is the traditional geometric interpretation sufficient to address these issues? We will show how seemingly inert anions can influence the electronic structure and stability of transition metal complexes. PB - TMMagCat project T1 - Invited lecture: "Elucidating the nature of weak coordination bonds in transition metal complexes: A computational chemistry perspective" UR - https://hdl.handle.net/21.15107/rcub_cer_7770 ER -
@conference{ author = "Zlatar, Matija and Gruden, Maja", year = "2024", abstract = "This talk will present our efforts to understand and control metal-ligand bonding based on density functional calculations, including Energy Decomposition Analysis and the Quantum Theory of Atoms in Molecules. The talk will focus on the intricacies of interactions involving weakly coordinated anions such as BF4−, NO3− and ClO4−. These anions are often considered as counterions and only spectators. We will try to answer these questions: Do they interact directly with the metal ion? When do they interact? Is the traditional geometric interpretation sufficient to address these issues? We will show how seemingly inert anions can influence the electronic structure and stability of transition metal complexes.", publisher = "TMMagCat project", title = "Invited lecture: "Elucidating the nature of weak coordination bonds in transition metal complexes: A computational chemistry perspective"", url = "https://hdl.handle.net/21.15107/rcub_cer_7770" }
Zlatar, M.,& Gruden, M.. (2024). Invited lecture: "Elucidating the nature of weak coordination bonds in transition metal complexes: A computational chemistry perspective". TMMagCat project.. https://hdl.handle.net/21.15107/rcub_cer_7770
Zlatar M, Gruden M. Invited lecture: "Elucidating the nature of weak coordination bonds in transition metal complexes: A computational chemistry perspective". 2024;. https://hdl.handle.net/21.15107/rcub_cer_7770 .
Zlatar, Matija, Gruden, Maja, "Invited lecture: "Elucidating the nature of weak coordination bonds in transition metal complexes: A computational chemistry perspective"" (2024), https://hdl.handle.net/21.15107/rcub_cer_7770 .