Реферат: Cobaltocene, [Co(II)(eta(5)-C(5)H(5))(2)], readily reduced [1,2,5]thiadiazolo[3,4-c][1,2,5]thiadiazolidyl (2) to the [1,2,5]thiadiazolo[3,4-c][1,2,5]thiadiazolidyl radical anion (1) which was isolated in the form of the thermally stable salt [Co(III)(eta(5)-C(5)H(5))(2)][1] (5) in 93 % yield. The XRD structure of 5 displays layers of radical anions 1, with S center dot center dot center dot N contacts of 358.2 and 366.0 pm between neighboring species. The salt was further characterized by ESR spectroscopy in the solid state as well as in solution. The temperature dependence of its magnetic susceptibility (%) in the range of 2-300 K with a maximum at (9.7 +/- 0.5) K indicates antiferromagnetic ordering of the spin system. The magnetic structure of 5 was analyzed in terms of dimeric exchange integrals calculated by a spin-unrestricted broken-symmetry approach at the DFT/UB3LYP/6-31+G(d) level of theory and was found to be 2D. Further analysis of the chi(T) dependence was performed by using the low- and high-temperature series expansion methods for the S = 1/2 square lattice antiferromagnetic Heisenberg model. The exchange interactions between radical anions 1 were estimated to be J = (-4.2 +/- 0.7) cm(-1). With the general form of the Van Vleck equation for a [3 x 4] grid of spins 1/2, the best fit of the experimental chi(T) was achieved with J(1) = -5.0cm(-1) and J(2) = -0.23(-1). Thus, the exchange interactions in 5 are stronger than those observed for previously studied salts of 1. ((C) Wiley-VCH Verlag GmbH & Co. KGaA, 69451 Weinheim, Germany, 2008).

Библиографическая ссылка: Konchenko S.N. , Gritsan N.P. , Lonchakov A.V. , Irtegova I.G. , Mews R. , Ovcharenko V.I. , Radius U. , Zibarev A.V.
Cobaltocenium [1,2,5]thiadiazolo[3,4-c][1,2,5]thiadiazol idyl: Synthesis, structure, and magnetic properties
European Journal of Inorganic Chemistry. 2008. N24. P.3833-3838. DOI: 10.1002/ejic.200800390 WOS Scopus РИНЦ OpenAlex

Даты:

Опубликована в печати:

1 авг. 2008 г.

Идентификаторы БД:

Web of science:	WOS:000258855900011
Scopus:	2-s2.0-53249086476
РИНЦ:	13577925
OpenAlex:	W1976834864

Цитирование в БД:

БД	Цитирований
Web of science	30
Scopus	32
OpenAlex	28

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