The reversible formation of a single-bonded (C(60)(-))(2) dimer in ionic charge transfer complex: Cp*(2)Cr.C(60)(C(6)H(4)Cl(2))(2). The molecular structure of (C(60)(-))(2)

Dmitri V Konarev; Salavat S Khasanov; Akihiro Otsuka; Gunzi Saito

doi:10.1021/ja0202614

The reversible formation of a single-bonded (C(60)(-))(2) dimer in ionic charge transfer complex: Cp*(2)Cr.C(60)(C(6)H(4)Cl(2))(2). The molecular structure of (C(60)(-))(2)

J Am Chem Soc. 2002 Jul 24;124(29):8520-1. doi: 10.1021/ja0202614.

Authors

Dmitri V Konarev¹, Salavat S Khasanov, Akihiro Otsuka, Gunzi Saito

Affiliation

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

PMID: 12121080
DOI: 10.1021/ja0202614

Abstract

A new ionic complex of C60 with decamethylchromocene, Cp*2Cr.C60(C6H4Cl2)2 (1), has been obtained. The fullerides are monomeric in 1 at room temperature, whereas they form a single-bonded (C60-)2 dimer at low temperatures, the structure of which has been studied by the X-ray diffraction on a single crystal at 100 K. The length of the intercage C-C bond is 1.597(7) A and the interfullerene distance is equal to 9.28 A. A phase transition attributed to the reversible C60*- dimerization is observed in the 220-200 K range. The transition is accompanied by changes in the unit cell parameters, the decrease of the magnetic moment from 4.20 muB (S = 3/2, 1/2) to 3.88 muB (S = 3/2) and the appearance of EPR signal from Cp*2Cr+, simultaneously.