Modeling metal-ligand bonds – from ground to excited states

Zlatar, Matija

2022

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Zlatar, Matija

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Abstract

In this talk, our efforts in understanding and controlling metal-ligand bonding will be presented, mainly based on the density functional calculations. The influence of the excited states on the electronic ground state and the impact of the ground electronic state on the fate of excited states will be emphasized.

Keywords:

DFT / coordination chemistry / metal-ligand bonding / chemical bonding / energy decomposition analysis / excited states / TDDFT / dissociation / neutral dissociation / irradiation chemistry

Source:
2022

Publisher:

TMMagCat project

Funding / projects:

TMMagCat - Tailoring Molecular Magnets and Catalysts Based on Transition Metal Complexes (RS-7750288)
Ministry of Education, Science and Technological Development, Republic of Serbia, Grant no. 200026 (University of Belgrade, Institute of Chemistry, Technology and Metallurgy - IChTM) (RS-200026)
COST Action CA20129 MultIChem (Multiscale Irradiation and Chemistry Driven Processes and Related Technologies)

Note:

This presentation was given at: 1st International Conference "Multiscale Irradiation and Chemistry Driven Processes and Related Technologies" (MultIChem 2022), Boppard am Rhein, Germany, 16-18 May, 2022.
Abstract: https://hdl.handle.net/21.15107/rcub_cer_5078

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TY  - CONF
AU  - Zlatar, Matija
PY  - 2022
UR  - https://cer.ihtm.bg.ac.rs/handle/123456789/5668
AB  - In this talk, our efforts in understanding and controlling metal-ligand bonding will be presented, mainly based on the density functional calculations. The influence of the excited states on the electronic ground state and the impact of the ground electronic state on the fate of excited states will be emphasized.
PB  - TMMagCat project
T1  - Modeling metal-ligand bonds – from ground to excited states
UR  - https://hdl.handle.net/21.15107/rcub_cer_5078
ER  -

@conference{
author = "Zlatar, Matija",
year = "2022",
abstract = "In this talk, our efforts in understanding and controlling metal-ligand bonding will be presented, mainly based on the density functional calculations. The influence of the excited states on the electronic ground state and the impact of the ground electronic state on the fate of excited states will be emphasized.",
publisher = "TMMagCat project",
title = "Modeling metal-ligand bonds – from ground to excited states",
url = "https://hdl.handle.net/21.15107/rcub_cer_5078"
}

Zlatar, M.. (2022). Modeling metal-ligand bonds – from ground to excited states. 
TMMagCat project..
https://hdl.handle.net/21.15107/rcub_cer_5078

Zlatar M. Modeling metal-ligand bonds – from ground to excited states. 2022;.
https://hdl.handle.net/21.15107/rcub_cer_5078 .

Zlatar, Matija, "Modeling metal-ligand bonds – from ground to excited states" (2022),
https://hdl.handle.net/21.15107/rcub_cer_5078 .