Negatively charged pi-(C60-)2 dimer with biradical state at room temperature

Dmitri V Konarev; Salavat S Khasanov; Akihiro Otsuka; Gunzi Saito; Rimma N Lyubovskaya

doi:10.1021/ja062143c

Negatively charged pi-(C60-)2 dimer with biradical state at room temperature

J Am Chem Soc. 2006 Jul 26;128(29):9292-3. doi: 10.1021/ja062143c.

Authors

Dmitri V Konarev¹, Salavat S Khasanov, Akihiro Otsuka, Gunzi Saito, Rimma N Lyubovskaya

Affiliation

¹ Division of Chemistry, Graduate School of Science, Kyoto University, Sakyo-ku, Kyoto 606-8502, Japan. konarev@icp.ac.ru

PMID: 16848439
DOI: 10.1021/ja062143c

Abstract

A negatively charged pi-(C60-)2 dimer bonded by two single bonds was found in the ionic multicomponent complex {(MDABCO+).CoIITMPP}2.(C60-)2.(C6H4Cl2)2.5.(C6H5CN)1.5 (1). In contrast to the previously described diamagnetic sigma-(C60-)2 dimer, the negatively charged pi-dimer has a biradical state at room temperature: (C60*-)2 (S = 1). The behavior of spins in this dimer can be described by a model with a singlet ground state (S = 0) and a close lying excited triplet (S = 1) state with the energy gap of 2|JAF| = 70 +/- 2 cm-1. On the whole, complex 1 shows a strong antiferromagnetic interaction of spins with a Weiss constant of -34 K.