Mixed-Valence, Layered, Cation Radical Salts of the Ethane-Bridged Dimeric Tetrathiafulvalene [(EDT-TTF−CH2−)2•+][X-][THF]0.5, X-= FeCl4-, GaCl4-

2000 ◽  
Vol 12 (8) ◽  
pp. 2250-2256 ◽  
Author(s):  
Cécile Mézière ◽  
Marc Fourmigué ◽  
Enric Canadell ◽  
Rodolphe Clérac ◽  
Klaus Bechgaard ◽  
...  
Keyword(s):  
Mixed Valence ◽  
Cation Radical

scholarly journals Face-to-Face Dimeric Tetrathiafulvalenes and Their Cation Radical and Dication Species as Models of Mixed Valence and π-Dimer States

2012 ◽  
Vol 85 (1) ◽  
pp. 51-60 ◽  
Author(s):  
Masashi Hasegawa ◽  
Kota Daigoku ◽  
Kenro Hashimoto ◽  
Hiroyuki Nishikawa ◽  
Masahiko Iyoda
Keyword(s):  
Mixed Valence ◽  
Cation Radical ◽  
Face To Face

Cation radical salts of the tetrathiafulvalene series : fast mixed valence detection by thin layer cyclic voltammetry

1993 ◽  
Vol 56 (1) ◽  
pp. 2359-2363 ◽  
Author(s):  
R. Carlier ◽  
A. Tallec ◽  
P. Frere ◽  
M. Salle ◽  
M. Jubault ◽  
...  
Keyword(s):  
Cyclic Voltammetry ◽  
Thin Layer ◽  
Mixed Valence ◽  
Cation Radical

A parametric two-mode vibronic model of a dimeric mixed-valence cell for molecular quantum cellular automata and computational ab initio verification

2020 ◽  
Vol 22 (44) ◽  
pp. 25982-25999
Author(s):  
Andrew Palii ◽  
Sergey Aldoshin ◽  
Shmuel Zilberg ◽  
Boris Tsukerblat
Keyword(s):  
Cellular Automata ◽  
Ab Initio ◽  
Mixed Valence ◽  
Cation Radical ◽  
Quantum Cellular Automata ◽  
Parametric Approach

Here we propose a two-mode vibronic model of a molecular cell for quantum cellular automata. The interconnection between the parametric approach and ab initio evaluations for the cation-radical of tetramethyleneethane molecule is established.

scholarly journals Mixed valence trimers in cation radical salts of TMTTF with the planar bis(6-sulfo-8-quinolato) platinum complex [Pt(qS)2]2−

2020 ◽  
Vol 44 (36) ◽  
pp. 15538-15548
Author(s):  
Arkadiusz Frąckowiak ◽  
Bolesław Barszcz ◽  
Iwona Olejniczak ◽  
Mikołaj Tomasik ◽  
Natalia Jarzyniak ◽  
...  
Keyword(s):  
Hydrogen Bonds ◽  
Mixed Valence ◽  
Platinum Complex ◽  
Cation Radical

Hydrogen bonds between conducting stacks of (TMTTF)32+ trimers and the planar bis-sulfonate platinum complex [Pt(qS)2]2−.

scholarly journals Mixed-valence porphyrin π-cation radical derivatives: Electrochemical investigations

2008 ◽  
Vol 361 (6) ◽  
pp. 1722-1727 ◽  
Author(s):  
W. Robert Scheidt ◽  
Kristin E. Buentello ◽  
Noelle Ehlinger ◽  
Arnaldo Cinquantini ◽  
Marco Fontani ◽  
...  
Keyword(s):  
Mixed Valence ◽  
Cation Radical

scholarly journals Decoupling anion-ordering and spin-Peierls transitions in a strongly one-dimensional organic conductor with a chessboard structure, (o-Me2TTF)2NO3

IUCrJ ◽  
2018 ◽  
Vol 5 (3) ◽  
pp. 361-372 ◽  
Author(s):  
Olivier Jeannin ◽  
Eric W. Reinheimer ◽  
Pascale Foury-Leylekian ◽  
Jean-Paul Pouget ◽  
Pascale Auban-Senzier ◽  
...  
Keyword(s):  
Mixed Valence ◽  
Cation Radical ◽  
Electronic System ◽  
Thermal Dependence ◽  
One Dimensional ◽  
Band Structure Calculations ◽  
Counter Ions ◽  
Radical Salt ◽  
Full Structure ◽  
Structure Calculations

A mixed-valence conducting cation radical salt of the unsymmetrically substituted o-Me2TTF donor molecule (TTF is tetrathiafulvalene) was obtained upon electrocrystallization in the presence of the non-centrosymmetric NO3 − anion. It crystallizes at room temperature in the monoclinic P21/c space group, with the anion disordered on an inversion centre. The donor molecules are stacked along the a axis. A 90° rotation of the longest molecular axis of o-Me2TTF generates a chessboard-like structure, preventing lateral S...S contacts between stacks and providing a strongly one-dimensional electronic system, as confirmed by overlap interaction energies and band structure calculations. A strong dimerization within the stacks explains the semiconducting behaviour of the salt, with σroom temp = 3–5 S cm−1 and E activated = 0.12–0.14 eV. An X-ray diffuse scattering survey of reciprocal space, combined with full structure resolutions at low temperatures (250, 85 and 20 K), evidenced the succession of two structural transitions: a ferroelastic one with an anion-ordering (AO) process and the establishment of a (0, ½, ½) superstructure below 124 (±3) K, also visible via resistivity thermal dependence, followed by a stack tetramerization with the establishment of a (½, ½, ½) superstructure below 90 (±5) K. The latter ground state is driven by a spin-Peierls (SP) instability, as demonstrated by the temperature dependence of the magnetic susceptibility. Surprisingly, these two kinds of instability appear to be fully decoupled here, at variance with other tetramethyltetrathiafulvalene (TMTTF) or tetramethyltetraselenafulvalene (TMTSF) salts with such non-centrosymmetric counter-ions.

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