Low-dimensional molecular conductors (Per)2M(mnt)2, Per = perylene, mnt = maleonitrile dithiolate, M = copper or nickel: low- and high-conductivity phases

1991 ◽  
Vol 95 (11) ◽  
pp. 4263-4267 ◽  
Author(s):  
Vasco Gama ◽  
Manuel Almeida ◽  
Rui T. Henriques ◽  
Isabel C. Santos ◽  
Angela Domingos ◽  
...  
Keyword(s):  
High Conductivity ◽  
Molecular Conductors ◽  
Low Dimensional

scholarly journals Donor–anion interactions in quarter-filled low-dimensional organic conductors

2018 ◽  
Vol 5 (4) ◽  
pp. 590-640 ◽  
Author(s):  
Jean-Paul Pouget ◽  
Pere Alemany ◽  
Enric Canadell
Keyword(s):  
Transport Properties ◽  
Essential Role ◽  
Organic Conductors ◽  
Molecular Conductors ◽  
Low Dimensional

In contrast to currently accepted ideas anions play an essential role in directing the structural and transport properties of many molecular conductors.

The 1,2,3,5-ditelluradiazolyl [HCN2Te2] species. Theoretical characterizations of the cation, radical, and radical dimers

1996 ◽  
Vol 74 (6) ◽  
pp. 810-818 ◽  
Author(s):  
William M. Davis ◽  
John D. Goddard
Keyword(s):  
Ab Initio ◽  
Electron Correlation ◽  
Cation Radical ◽  
Building Blocks ◽  
Molecular Conductors ◽  
Face To Face ◽  
Hartree Fock ◽  
Symmetry Constraints ◽  
Moller Plesset ◽  
Low Dimensional

Dithia- and diselena-diazolyl radicals (HCN2E2 E = S, Se) and dimers are important building blocks in the design of low-dimensional molecular conductors. Research on the tellurium-based analogues is much rarer. This work reports the molecular and electronic structures of the cation, radical, and radical dimers of 1,2,3,5-ditelluradiazolyl using ab initio theory including electron correlation by Møller–Plesset perturbation theory up to partial fourth order (MP4SDQ). A face-to-face C2v dimer is predicted to be bound with respect to two radicals by approximately 18 kcal/mol. A C2h, dimer also has been studied and is ca. 2 kcal/mol less stable than the C2v conformer. Relaxing symmetry constraints on the dimers led to more energetically stable structures at the Hartree–Fock level but the C2v structure remains the most stable at a level of theory including electron correlation effects. The results for the Te compounds along with our earlier research on the S and Se analogues provide predictions for the geometries, vibrational frequencies, and ionization potentials for the Te species to assist in future experiments. Key words: tellurium, ab initio, ditelluradiazolyl, dimers, binding.

New low-dimensional molecular conductors: α′′-(BEDO-TTF)2Cl·3H2O andθ-(BDH-TTP)2(Br0.67Cl0.33)·3H2O

2011 ◽  
Vol 37 (10) ◽  
pp. 744-748 ◽  
Author(s):  
L. V. Zorina ◽  
S. V. Simonov ◽  
S. S. Khasanov ◽  
R. P. Shibaeva
Keyword(s):  
Molecular Conductors ◽  
Low Dimensional

New low-dimensional molecular conductors based on bis(ethylenedithio)tetrathiafulvalene radical cation salts with octahedral metal complex anion [ReIVCl6]2–

2016 ◽  
Vol 65 (10) ◽  
pp. 2388-2395
Author(s):  
S. S. Khasanov ◽  
A. V. Kazakova ◽  
A. O. Tolstikova ◽  
S. V. Simonov ◽  
E. B. Yagubskii ◽  
...  
Keyword(s):  
Metal Complex ◽  
Radical Cation ◽  
Complex Anion ◽  
Molecular Conductors ◽  
Radical Cation Salts ◽  
Low Dimensional

Structural features of low-dimensional molecular conductors—Representatives of new hybrid polyfunctional materials: Review

2006 ◽  
Vol 51 (6) ◽  
pp. 949-967 ◽  
Author(s):  
R. P. Shibaeva ◽  
S. S. Khasanov ◽  
L. V. Zorina ◽  
S. V. Simonov
Keyword(s):  
Structural Features ◽  
Molecular Conductors ◽  
Low Dimensional

scholarly journals Low-Dimensional Nanostructures of Molecular Conductors

Hyomen Kagaku ◽  
2006 ◽  
Vol 27 (3) ◽  
pp. 145-150
Author(s):  
Tomoyuki AKUTAGAWA ◽  
Takayoshi NAKAMURA
Keyword(s):  
Molecular Conductors ◽  
Low Dimensional

Structure and Physical Properties of Low-Dimensional Molecular Conductors, [PXX][FeIII(Pc)(CN)2] and [PXX][CoIII(Pc)(CN)2] (PXX =peri-xanthenoxanthene, Pc = phthalocyaninato)

2003 ◽  
Vol 76 (10) ◽  
pp. 1935-1940 ◽  
Author(s):  
Masaki Matsuda ◽  
Takehiro Asari ◽  
Toshio Naito ◽  
Tamotsu Inabe ◽  
Noriaki Hanasaki ◽  
...  
Keyword(s):  
Physical Properties ◽  
Molecular Conductors ◽  
Low Dimensional
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