scholarly journals The 2:1 charge-transfer complex of 4,6-dimethyldibenzothiophene and 7,7,8,8-tetracyano-2,3,5,6-tetrafluoroquinodimethane

IUCrData ◽  
2018 ◽  
Vol 3 (1) ◽  
Author(s):  
Takuya Fujii ◽  
Hideo Yamakado
Keyword(s):  
Charge Transfer ◽  
Electron Donor ◽  
Electron Acceptor ◽  
Title Compound ◽  
Charge Transfer Complex ◽  
Membered Ring ◽  
Asymmetric Unit ◽  
Centroid Distance ◽  
A Charge ◽  
Tcnq Molecule

The title compound, 2C14H12S·C12N4F4, was obtained by using 4,6-dimethyldibenzothiophene (DMDBT) as an electron donor and 7,7,8,8-tetracyano-2,3,5,6-tetrafluoroquinodimethane (F4TCNQ) as an electron acceptor. The asymmetric unit consists of one DMDBT molecule and one half of an F4TCNQ molecule, which lies on an inversion centre. In the crystal, the DMDBT and F4TCNQ molecules form a 2:1 unit via a charge-transfer interaction, with a centroid–centroid distance of 3.3681 (15) Å between the five-membered ring of DMDBT and the six-membered ring of F4TCNQ. An F...F contact [2.911 (1) Å] is also observed.

Synthesis and X-Ray Study of a Charge-Transfer Complex of Pyrido[2,3-H]pyrrolo[1,2-a]quinoxaline - 7,7,8,8-Tetracyano-p-quinodimethane (1:1)

1988 ◽  
Vol 41 (6) ◽  
pp. 971 ◽  
Author(s):  
B Viossat ◽  
NH Dung ◽  
JC Daran ◽  
JC Lancelot ◽  
M Robba
Keyword(s):  
Charge Transfer ◽  
Charge Transfer Complex ◽  
Three Dimensional ◽  
Direct Methods ◽  
Title Complex ◽  
Full Matrix ◽  
X Ray ◽  
Donor And Acceptor ◽  
A Charge ◽  
Tcnq Molecule

The structure of the title complex has been determined by a three-dimensional X-ray analysis. Triclinic crystals in space group Pī have lattice parameters a 7.0912(8), b 7.692(2), c 19.119(3)Ǻ, α 87.09(2),β 84.01(1),γ 82.72(1)°, Z 2. The structure was solved by means of direct methods and refined by full matrix least squares to R 0.039 and Rw 0.035 for 1671 observed reflections. Almost parallel tetracyanoquinodimethane (tcnq ) and pyridopyrroloquinoxaline molecules are stacked alternately along the a axis. Differences in C-C distances for the complexed tcnq molecule suggest a certain amount of charge-transfer interaction between donor and acceptor molecules.

Charge-transfer Complex Formed with Bowl-shaped Corannulene as Electron Donor and Planar 7,7,8,8-Tetracyanoquinodimethane as Electron Acceptor

2015 ◽  
Vol 44 (5) ◽  
pp. 709-711 ◽  
Author(s):  
Yukihiro Yoshida ◽  
Kazuhide Isomura ◽  
Yuto Nakamura ◽  
Hideo Kishida ◽  
Gunzi Saito
Keyword(s):  
Charge Transfer ◽  
Electron Donor ◽  
Electron Acceptor ◽  
Charge Transfer Complex

scholarly journals Crystal structure of the charge-transfer complex 2-(1,2,3,4-tetrahydronaphthalen-1-ylidene)hydrazinecarbothioamide–pyrazine-2,3,5,6-tetracarbonitrile (2/1)

2014 ◽  
Vol 70 (10) ◽  
pp. o1090-o1091
Author(s):  
Johannes Beck ◽  
Jörg Daniels ◽  
Petra Krieger-Beck ◽  
Gertrud Dittmann ◽  
Adriano Bof de Oliveira
Keyword(s):  
Crystal Structure ◽  
Absorption Spectrum ◽  
Charge Transfer ◽  
Charge Transfer Complex ◽  
Polymeric Chain ◽  
Aromatic Rings ◽  
Molecular Plane ◽  
Centroid Distance ◽  
Parallel Arrangement ◽  
A Charge

The reaction of 2-(1,2,3,4-tetrahydronapthalen-1-ylidene)hydrazinecarbothioamide (TTSC) with pyrazine-2,3,5,6-tetracarbonitrile (tetracyanopyrazine, TCNP) yields the title 2:1 charge-transfer adduct, 2C11H12N3S·C6N8. The complete TCNP molecule is generated by a crystallographic inversion centre and the non-aromatic ring in the TTSC molecule adopts an envelope conformation with a methylene C atom as the flap. In the crystal, the thiosemicarbazone molecules are connected through inversion-related pairs of N—H...S interactions, building a polymeric chain along theb-axis direction. The TCNP molecules are embedded in the structure, forming TTSC–TCNP–TTSC stacks with the aromatic rings of TTSC and the molecular plane of TCNP in a parallel arrangement [centroid–centroid distance = 3.5558 (14) Å]. Charge-transfer (CT)viaπ-stacking is indicated by a CT band around 550 cm−1in the single-crystal absorption spectrum.

scholarly journals (4E)-1-Phenyl-4-{[(pyridin-2-yl)amino]methylidene}pyrazolidine-3,5-dione

IUCrData ◽  
2016 ◽  
Vol 1 (6) ◽  
Author(s):  
Shaaban K. Mohamed ◽  
Joel T. Mague ◽  
Mehmet Akkurt ◽  
Ahmed Khodairy ◽  
Mustafa R. Albayati ◽  
...  
Keyword(s):  
Hydrogen Bonding ◽  
Title Compound ◽  
Membered Ring ◽  
Dihedral Angles ◽  
Asymmetric Unit ◽  
Compound C ◽  
Centroid Distance ◽  
Two Component ◽  
Phenyl Rings ◽  
Independent Molecules

The title compound, C15H12N4O2, contains two independent molecules in the asymmetric unit. These differ in terms of dihedral angles that the phenyl and 2-pyridyl rings subtend with the central five-membered ring; 15.2 (2) and 2.9 (2)°, respectively, in one molecule, 8.9 (2) and 5.1 (2)°for the second. In the crystal, the independent molecules each self-associate to form layers through N—H...O and C—H...O hydrogen bonding. The layers associate through π–π interactions between the phenyl rings and isolated carbon–carbon double bonds [shortest midpoint–centroid distance = 3.347 (4) Å]. The crystal studied was refined as a two-component twin.

Spectroscopic, electronic and computational properties of a mixed tetrachalcogenafulvalene and its charge transfer complex

2018 ◽  
Vol 6 (5) ◽  
pp. 1092-1104 ◽  
Author(s):  
Robert J. Walwyn ◽  
Bun Chan ◽  
Pavel M. Usov ◽  
Marcello B. Solomon ◽  
Samuel G. Duyker ◽  
...  
Keyword(s):  
Charge Transfer ◽  
Electron Donor ◽  
Electron Acceptor ◽  
Charge Transfer Complex ◽  
Donor Molecule ◽  
Semiconducting Properties ◽  
Computational Properties

The unexplored electron donor molecule triselenathiafulvalene (TSTF) and its corresponding charge transfer complex with the well-known electron acceptor TCNQ exhibit rich electronic, optical and semiconducting properties.

A charge-transfer salt composed of methyl viologen and hexacyanidoferrate(II)

2017 ◽  
Vol 73 (6) ◽  
pp. 476-480 ◽  
Author(s):  
Rikako Tanaka ◽  
Nobuyuki Matsushita
Keyword(s):  
Crystal Structure ◽  
Charge Transfer ◽  
Electron Acceptor ◽  
Methyl Viologen ◽  
Water Molecules ◽  
Asymmetric Unit ◽  
Hydrated Salt ◽  
Cyanide Ligands ◽  
A Charge

The methyl viologen dication, used under the name Paraquat as an agricultural reagent, is a well-known electron-acceptor species that can participate in charge-transfer (CT) interactions. The determination of the crystal structure of this species is important for accessing the CT interaction and CT-based properties. The title hydrated salt, bis(1,1′-dimethyl-4,4′-bipyridine-1,1′-diium) hexacyanidoferrate(II) octahydrate, (C12H14N2)2[Fe(CN)6]·8H2O or (MV)2[Fe(CN)6]·8H2O [MV2+ is the 1,1′-dimethyl-4,4′-bipyridine-1,1′-diium (methyl viologen) dication], crystallizes in the space group P21/c with one MV2+ cation, half of an [Fe(CN)6]4− anion and four water molecules in the asymmetric unit. The FeII atom of the [Fe(CN)6]4− anion lies on an inversion centre and has an octahedral coordination sphere defined by six cyanide ligands. The MV2+ cation is located on a general position and adopts a noncoplanar structure, with a dihedral angle of 40.32 (7)° between the planes of the pyridine rings. In the crystal, layers of electron-donor [Fe(CN)6]4− anions and layers of electron-acceptor MV2+ cations are formed and are stacked in an alternating manner parallel to the direction of the −2a + c axis, resulting in an alternate layered structure.

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