Trifluoromethylsulfonyl-Based Salts of BEDT-TTF: Crystal and Electronic Structures and Physical Properties11

Molecular quantum materials: electronic phases and charge dynamics in two-dimensional organic solids

“…The intradimer coupling t d is a fair estimate of the on-site Coulomb repulsion U [57,58]. Advancing previous calculations [49,[59][60][61][62][63][64][65][66][67], Scriven and Powell computed the effective Coulomb interaction within the BEDT-TTF dimers by density functional theory (DFT) [68]. As usual, the organic molecules are arranged in layers separated by the anion sheets.…”

New fulvalenium salts of bis(dicarbollide) cobalt and iron: Synthesis, crystal structure and electrical conductivity

“…Most conducting and superconducting cation radical salts in the BEDT-TTF family form with a 2:1 donor:anion stoichiometry with monovalent anions. Many BEDT-TTF salts having b-type packing structural motif demonstrate metallic [14][15][16] or superconducting [17][18][19] properties. That is why we initiated synthesis of series of the BEDT-TTF salts with [8,8 0 -X 2 -3,3 0 -Co(1,2-C 2 B 9 H 10 ) 2 ] À (X = Cl, Br, I) anions to study effect of the anion size on their structure and conductivity.…”

Conducting Organic Radical Cation Salts with Organic and Organometallic Anions

“…The ET salt of the bis(trifluoromethanesulfon)imide, N(SO 2 CF 3 ) 2 - , anion was prepared because this anion possesses features that are similar to those found in other ET superconductors: the NR 2 - group contains the same bent geometry as the dicyanamide anion in κ-(ET) 2 Cu[N(CN) 2 ]X (X = Br, Cl), and CF 3 groups are present in the κ-(ET) 2 M(CF 3 ) 4 (solvent) (M = Cu, Ag, Au) salts (see below). Crystals of (ET) 2 N(SO 2 CF 3 ) 2 were grown from TCE or THF solutions containing Li[N(SO 2 CF 3 ) 2 ] as the electrolyte. , This salt crystallizes in a layered motif with a β‘ ‘-type packing: the ET molecules are canted with respect to the stacking axis and form nearly coplanar arrays along the interstack direction. The short (<3.60 Å) S···S contacts occur between the edges of ET molecules in adjacent stacks, forming ribbons along the a -axis.…”