Molecular conductors based on radical cation hydrated halides: new crystal phase of the (BEDT-TTF)(3)Br-2 center dot 2H(2)O organic metal

摘要

A new crystal phase of the (BEDT-TTF)(3)Br-2.2H(2)O radical cation salt was characterized by single crystal X-ray diffraction, electrical resistivity measurements at ambient and high pressures and electronic band structure calculations. (BEDT-TTF)(3)Br-2.2H(2)O is triclinic with space group P (1) over bar (a = 11.225(2) Angstrom, b = 13.964(3) Angstrom, c = 16.141(3) Angstrom, alpha = 94.48(3)degrees, beta = 109.01(3)degrees, gamma = 97.08(3)degrees, V - 2354.8(8) Angstrom(3), Z = 2). The salt is similar to the corresponding chloride salt in its donor molecular packing motif and electronic structure but differs in its transport properties. (C) 2002 Elsevier Science B.V. All rights reserved. [References: 36]