Crystal structure and magnetic properties of an ionic C60 complex with decamethylcobaltocene: (Cp2Co)2C60(C6H4Cl2, C6H5CN)2. Singlet-triplet transitions in the C60(2-) anion

The C(60) complex with decamethylcobaltocene, (Cp(2)Co)(2)C(60)(C(6)H(4)Cl(2), C(6)H(5)CN)(2) (1) (C(6)H(4)Cl(2) = 1,2-dichlorobenzene; C(6)H(5)CN = benzonitrile), has been obtained as single crystals by the diffusion method. The IR and UV-vis-NIR spectra show the presence of the C(60)(2)(-) and the...

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Published in:Inorganic chemistry 2003-06, Vol.42 (12), p.3706-3708
Main Authors: Konarev, Dmitri V, Khasanov, Salavat S, Saito, Gunzi, Vorontsov, Ivan I, Otsuka, Akihiro, Lyubovskaya, Rimma N, Antipin, Yury M
Format: Article
Language:English
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Summary:The C(60) complex with decamethylcobaltocene, (Cp(2)Co)(2)C(60)(C(6)H(4)Cl(2), C(6)H(5)CN)(2) (1) (C(6)H(4)Cl(2) = 1,2-dichlorobenzene; C(6)H(5)CN = benzonitrile), has been obtained as single crystals by the diffusion method. The IR and UV-vis-NIR spectra show the presence of the C(60)(2)(-) and the Cp(2)Co(+) ions, which form a three-dimensional framework with channels accommodating solvent molecules. EPR and SQUID measurements show that C(60)(2)(-) has a diamagnetic singlet (S = 0) state in the 2-140 K range. The appearance of a broad EPR signal and the increase in magnetic susceptibility of 1 above 140 K are assigned to a thermal population of a close lying triplet (S = 1) state. The singlet-triplet energy gap for C(60)(2)(-) in solid 1 is estimated to be 730+/-10 cm(-)(1).
ISSN:0020-1669
DOI:10.1021/ic0340074