Mixed radical/iodine charge-transfer salts of dithiadiazolyl diradicals. Structural characterization of the pyridine-bridged 2: 1 salt 2,6-[(S2N2C)C5H3N(CN 2S2)]2[I]

A. W. Cordes*, N. A. George, R. C. Haddon, D. K. Kennepohl, R. T. Oakley, T. T.M. Palstra, R. W. Reed

*Corresponding author for this work

Research output: Contribution to journalArticleAcademicpeer-review

12 Citations (Scopus)
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Abstract

Cosublimation of 2,5-furanbis(1,2,3,5-dithiadiazolyl) [F-2,5-S] and iodine affords 1:1 and 2:1 charge-transfer salts, [F-2,5-S][I] and [F-2,5-S]2[I]. Cosublimation of 2,6-pyridinebis-(1,2,3,5-dithiadiazolyl) [P-2,6-S] and iodine affords uniquely the 2:1 charge-transfer salt [P-2,6-S]2[I]. Crystals of the latter belong to the space group P21/c, a = 3.434(3), b = 9.8914(9), c = 30.803(4) Å, β = 91.52(3)°, V = 1045.9(9) Å3, Z = 2. The structure consists of [P-2,6-S] molecules stacked along the x direction. Pairs of stacks are linked head-on through iodine atoms, which themselves form disordered stacks running parallel to x. The internal structural parameters of the two CN2S2 rings within each molecule suggest that one (linked to iodine) is formally uncharged, while the other is partially oxidized. This latter ring is heavily coordinated through S- - -N linkages to neighboring CN2S2 rings and pyridine. Magnetic susceptibility measurements on [P-2,6-S]2[I] indicate that it is diamagnetic below 220 K.

Original languageEnglish
Pages (from-to)2774-2778
Number of pages5
JournalChemistry of materials
Volume8
Issue number12
DOIs
Publication statusPublished - 1 Dec 1996
Externally publishedYes

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