Ligand-centered to metal-centered activation of a Rh(<scp>iii</scp>) photosensitizer revealed by <i>ab initio</i> molecular dynamics simulations-Reference-Cited by-同舟云学术

Ligand-centered to metal-centered activation of a Rh(iii) photosensitizer revealed by ab initio molecular dynamics simulations

Published:2023 Issue:47 Volume:14 Page:13713-13721
ISSN:2041-6520
Container-title:Chemical Science
language:en
Short-container-title:Chem. Sci.

Author:

Losada Iria Bolaño¹,Persson Petter¹^ORCID

Affiliation:

1. Division of Computational Chemistry, Department of Chemistry, Lund University, Box 124, SE-22100 Lund, Sweden

Abstract

Excited state evolution of the rhodium(iii) complex [Rh(iii)(phen)2(NH3)2]2+ (phen = 1,10-phenanthroline) has been investigated theoretically to gain a better understanding of light-driven activation of high-energy metal centered states.

Funder

Vetenskapsrådet

Publisher

Royal Society of Chemistry (RSC)

Subject

General Chemistry

Link

http://pubs.rsc.org/en/content/articlepdf/2023/SC/D3SC04381A

Reference47 articles.

1. Photoactive Metal-to-Ligand Charge Transfer Excited States in 3d⁶ Complexes with Cr⁰, Mn^I, Fe^II, and Co^III

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3. Ultrafast laser spectroscopy uncovers mechanisms of light energy conversion in photosynthesis and sustainable energy materials

4. Visible Light Photoredox Catalysis with Transition Metal Complexes: Applications in Organic Synthesis

5. Metal centered ligand field excited states: Their roles in the design and performance of transition metal based photochemical molecular devices

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