Theoretical investigation of multi-spin excited states of anthracene radical-linked π-conjugated spin systems by computational chemistry

Author:

Kato Ken1ORCID,Teki Yoshio23ORCID

Affiliation:

1. Institute for Protein Research, Osaka University, 3-2 Yamadaoka, Suita-shi, Osaka 565-0871, Japan

2. Graduate School of Science, Osaka City University, 3-3-138 Sugimoto, Sumiyoshi-ku, Osaka 558-8585, Japan

3. Graduate School of Engineering, Osaka Metropolitan University, 3-3-138 Sugimoto, Sumiyoshi-ku, Osaka 558-8585, Japan

Abstract

Exchange interactions, g-values, and fine-structure splitting in the multi-spin excited states of anthracene radical-linked π-conjugated spin systems are calculated by DFT method. Dependence on radical species, π-topology, and linker are revealed.

Funder

Japan Society for the Promotion of Science

Publisher

Royal Society of Chemistry (RSC)

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