Abstract
A new salt of the electron-donor molecule BEDT-TTF [bis(ethylenedithio)tetrathiafulvalence, or ET] with the unusual {open_quotes}T{close_quotes}-shaped anion Br{sub 2}SeCN{sup {minus}} was synthesized. Its crystal structure (space group P1, Z = 1; {alpha} = 5.9304-(6) {angstrom}, b = 8.8042(9) {angstrom}, C = 16.509(2) {angstrom}, {alpha} = 95.723(8){degree}, {beta} = 98.767(8){degrees}, {gamma} = 92.192(8){degrees}, V = 846.4(2) {angstrom}{sup 3} at 298 K; a = 5.8131(12) {angstrom}, b = 8.666(2){angstrom}, c = 16.626(4) {angstrom}, {alpha} = 93.75(2){degrees}, {beta} = 100.62(2){degrees}, {gamma} = 89.75(2){degrees}, V = 821.4(3) {angstrom}{sup 3} at 122 K) contains layers of ET molecules interspersed with anion layers. A crystallographic phase transition at {approximately}150 K is observed, accompanied by a discontinuity in unit cell angles. The band electronic structure calculation suggests the possibility of one-dimensional conduction, but electron localization renders the system semiconducting over the entire temperature range studied. Inductive techniques showed no sign of superconductivity at temperatures above 1.2 K and pressures below 5 kbar.
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