Quantum-chemistry-aided ligand engineering for potential molecular switches: changing barriers to tune excited state lifetimes-Reference-Cited by-同舟云学术

Quantum-chemistry-aided ligand engineering for potential molecular switches: changing barriers to tune excited state lifetimes

Published:2020 Issue:79 Volume:56 Page:11831-11834
ISSN:1359-7345
Container-title:Chemical Communications
language:en
Short-container-title:Chem. Commun.

Author:

Sárosiné Szemes Dorottya¹²³^ORCID,Keszthelyi Tamás¹²³^ORCID,Papp Mariann¹²³^ORCID,Varga László⁴⁵²³,Vankó György¹²³^ORCID

Affiliation:

1. Wigner Research Centre for Physics

2. Budapest

3. Hungary

4. EvoBlocks Ltd.

5. Berlini u. 47-49.

Abstract

DFT predicts the ability to tune the energy barrier between the quintet and singlet states of an iron complex, and thus the quintet lifetime, with selected substituents on the ligand; this prediction is confirmed by time-resolved spectroscopy.

Funder

Magyar Tudományos Akadémia

Magyarország kormánya

Publisher

Royal Society of Chemistry (RSC)

Subject

Materials Chemistry,Metals and Alloys,Surfaces, Coatings and Films,General Chemistry,Ceramics and Composites,Electronic, Optical and Magnetic Materials,Catalysis

Link

http://pubs.rsc.org/en/content/articlepdf/2020/CC/D0CC04467A

Reference78 articles.

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