TD-DFT study of the light-induced spin crossover of Fe(iii) complexes-Reference-Cited by-同舟云学术

TD-DFT study of the light-induced spin crossover of Fe(iii) complexes

Published:2016 Issue:2 Volume:18 Page:1233-1244
ISSN:1463-9076
Container-title:Physical Chemistry Chemical Physics
language:en
Short-container-title:Phys. Chem. Chem. Phys.

Author:

Saureu Sergi¹²³⁴,de Graaf Coen¹²³⁴⁵

Affiliation:

1. Departament de Química Física i Inorgànica

2. Universitat Rovira i Virgili

3. 43007 Tarragona

4. Spain

5. Institució Catalana de Recerca i Estudis Avançats (ICREA)

Abstract

Two light-induced spin-crossover Fe(iii) compounds have been studied with time-dependent density functional theory (TD-DFT) to investigate the deactivation mechanism and the role of the ligand-field states as intermediates in this process.

Funder

Generalitat de Catalunya

Publisher

Royal Society of Chemistry (RSC)

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://pubs.rsc.org/en/content/articlepdf/2016/CP/C5CP06620D

Reference85 articles.

1. Spin crossover in Transition Metal Compounds, ed. P. Gütlich and H. A. Goodwin, Springer-Verlag, 2004, vol. 233–235

2. Spin-Crossover Materials – Properties and Applications, ed. M. A. Halcrow, Wiley, Chichester, UK, 2013

3. Spin States in Biochemistry and Inorganic Chemistry: Influence on Structure and Reactivity, ed. M. Swart and M. Costas, Wiley, Chichester, UK, 2016

4. Über die magnetische Susceptibilität der komplexen Verbindungen

5. P. J. van Koningsbruggen , Y.Maeda and H.Oshio, in Spin crossover in Transition Metal Compounds I, ed. P. Gütlich and H. A. Goodwin, Springer-Verlag, 2004, vol. 233, pp. 233–259

Cited by 30 articles. 订阅此论文施引文献订阅此论文施引文献，注册后可以免费订阅5篇论文的施引文献，订阅后可以查看论文全部施引文献

1. Fine-tuning of the spin-crossover properties of Fe(iii) complexes via ligand design;Physical Chemistry Chemical Physics;2023

2. Spin–vibronic coupling in the quantum dynamics of a Fe(III) trigonal-bipyramidal complex;The Journal of Chemical Physics;2022-04-07

3. Toward Simulation of Fe(II) Low-Spin → High-Spin Photoswitching by Synergistic Spin-Vibronic Dynamics;Journal of Chemical Theory and Computation;2022-02-24

4. Azobenzene-Iron(III)porphyrin Hybrid Composite as a Light-Driven Molecular Spin Regulator: Some Promising Insights from DFT;Chemistry of Materials;2021-11-03

5. Iron(III) Complex-Functionalized Gold Nanocomposite as a Strategic Tool for Targeted Photochemotherapy in Red Light;Inorganic Chemistry;2021-04-22