Crystal structure of a polycyano–polycadmate host clathrate including a charge-transfer complex of methylviologen dication and mesitylene as a guest

2001 ◽  
pp. 1398-1399 ◽  
Author(s):  
Hirofumi Yoshikawa ◽  
Shin-ichi Nishikiori ◽  
Kinga Suwinska ◽  
Roman Luboradzki ◽  
Janusz Lipkowski
Keyword(s):  
Crystal Structure ◽  
Charge Transfer ◽  
Charge Transfer Complex ◽  
A Charge

Synthesis improvement, crystal structure and a charge-transfer complex of a sulphur dioxide-containing TTF derivative

2002 ◽  
Vol 128 (2) ◽  
pp. 155-159 ◽  
Author(s):  
M. Mas-Torrent ◽  
J. Llacay ◽  
K. Wurst ◽  
V. Laukhin ◽  
J. Vidal-Gancedo ◽  
...  
Keyword(s):  
Crystal Structure ◽  
Charge Transfer ◽  
Sulphur Dioxide ◽  
Charge Transfer Complex ◽  
A Charge

scholarly journals The Crystal Structure of a Charge-Transfer Complex of Tetrakis(methylthio)tetrathiafulvalenium Dibromoiodate, TMT-TTF·IBr2

1988 ◽  
Vol 61 (2) ◽  
pp. 588-590 ◽  
Author(s):  
Kazumasa Honda ◽  
Midori Goto ◽  
Masayasu Kurahashi ◽  
Hiroyuki Anzai ◽  
Madoka Tokumoto ◽  
...  
Keyword(s):  
Crystal Structure ◽  
Charge Transfer ◽  
Charge Transfer Complex ◽  
A Charge

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 Intermolecular interactions and charge transfer in the 2:1 tetrathiafulvalene bromanil complex, (TTF)2-BA

2011 ◽  
Vol 67 (3) ◽  
pp. 244-249 ◽  
Author(s):  
Pilar García-Orduña ◽  
Slimane Dahaoui ◽  
Claude Lecomte
Keyword(s):  
Crystal Structure ◽  
Phase Transition ◽  
Charge Transfer ◽  
Room Temperature ◽  
Charge Transfer Complex ◽  
Structural Phase ◽  
X Ray Diffraction ◽  
X Ray ◽  
Donor And Acceptor ◽  
A Charge

The crystal structure of the 2:1 charge-transfer complex of tetrathiafulvalene [2,2′-bis(1,3-dithiolylidene)] and bromanil (tetrabromo-1,4-benzoquinone) [(TTF)2-BA, (C6H4S4)2–C6Br4O2] has been determined by X-ray diffraction at room temperature, 100 and 25 K. No structural phase transition occurs in the temperature range studied. The crystal is made of TTF–BA–TTF sandwich trimers. A charge-transfer estimation between donor and acceptor (0.2 e) molecules is proposed in comparison to the molecular geometries of TTF–BA and TTF and BA isolated molecules. Displacement parameters of the molecules have been modeled with the TLS formalism.

scholarly journals Multi-configurational Ehrenfest simulations of ultrafast nonadiabatic dynamics in a charge-transfer complex

2018 ◽  
Vol 149 (24) ◽  
pp. 244107 ◽  
Author(s):  
Tianji Ma ◽  
Matteo Bonfanti ◽  
Pierre Eisenbrandt ◽  
Rocco Martinazzo ◽  
Irene Burghardt
Keyword(s):  
Charge Transfer ◽  
Charge Transfer Complex ◽  
Nonadiabatic Dynamics ◽  
A Charge
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