TY - JOUR
T1 - Molecular Conductors from Neutral-Radical Charge-Transfer Salts
T2 - Ppreparation and Characterization of an I Doped Hexagonal Phase of 1, 2, 3, 5-dithiadiazolyl ([HCN2S2].)
AU - Bryan, C. D.
AU - Cordes, A. W.
AU - Haddon, R. C.
AU - Palstra, T. T.M.
AU - Perel, A. S.
AU - Schneemeyer, L. F.
AU - Waszczak, J. V.
AU - Hicks, R. G.
AU - Kennepohl, D. K.
AU - MacKinnon, C. D.
AU - Oakley, R. T.
AU - Scott, S. R.
PY - 1994/2/1
Y1 - 1994/2/1
N2 - Sublimation of 1, 2, 3, 5-dithiadiazolyl in vacuo affords a triclinic phase of the dimer [HCN2S2]2. The crystals belong to the space group P1, a = 6.816(3), b = 13.940(2), c = 14.403(3) Å, α = 116.830(14), β = 98.64(3), γ = 99.18(3)°, FW = 212.4 (for [HCN2S2]2·[N2]0.08), Z = 6. The crystal structure consists of stacked dimers, with three dimers per asymmetric unit. Pairs of asymmetric units, related by an inversion center, generate a pinwheel motif consisting of six dimers. The columnar structure associated with these pinwheels forms close-packed sets of “molecular tubes”. Cosublimation of the radical in the presence of iodine in the mole ratio (HCN2S2:I = 5:1) yields an iodine-doped hexagonal phase of composition [HCN2S2]6[I]1.1- Crystals of this material belong to the space group P61 a = b = 14.132(16), c = 3.352(5) Å, FW = 128.20, Z = 6. The crystal structure consists of sixfold pinwheels in which the now evenly spaced HCN2S2 rings form a spiral about the 6i axis. The iodine atoms lie within the columnar cavity of the pinwheels in a disordered array wrapped tightly about the sixfold screw axis. The single-crystal conductivity of the doped material is 15 S cm-1 at room temperature. Raman spectroscopic and magnetic susceptibility measurements on the doped material are reported.
AB - Sublimation of 1, 2, 3, 5-dithiadiazolyl in vacuo affords a triclinic phase of the dimer [HCN2S2]2. The crystals belong to the space group P1, a = 6.816(3), b = 13.940(2), c = 14.403(3) Å, α = 116.830(14), β = 98.64(3), γ = 99.18(3)°, FW = 212.4 (for [HCN2S2]2·[N2]0.08), Z = 6. The crystal structure consists of stacked dimers, with three dimers per asymmetric unit. Pairs of asymmetric units, related by an inversion center, generate a pinwheel motif consisting of six dimers. The columnar structure associated with these pinwheels forms close-packed sets of “molecular tubes”. Cosublimation of the radical in the presence of iodine in the mole ratio (HCN2S2:I = 5:1) yields an iodine-doped hexagonal phase of composition [HCN2S2]6[I]1.1- Crystals of this material belong to the space group P61 a = b = 14.132(16), c = 3.352(5) Å, FW = 128.20, Z = 6. The crystal structure consists of sixfold pinwheels in which the now evenly spaced HCN2S2 rings form a spiral about the 6i axis. The iodine atoms lie within the columnar cavity of the pinwheels in a disordered array wrapped tightly about the sixfold screw axis. The single-crystal conductivity of the doped material is 15 S cm-1 at room temperature. Raman spectroscopic and magnetic susceptibility measurements on the doped material are reported.
UR - http://www.scopus.com/inward/record.url?scp=0028381420&partnerID=8YFLogxK
U2 - 10.1021/ja00083a005
DO - 10.1021/ja00083a005
M3 - Journal Article
AN - SCOPUS:0028381420
SN - 0002-7863
VL - 116
SP - 1205
EP - 1210
JO - Journal of the American Chemical Society
JF - Journal of the American Chemical Society
IS - 4
ER -