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.

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.

Radikal-markierte Metallocene (M = Fe, Co). Metallocenylen verbrückte Bis(3-imidazolin-l-oxyle) / Radical Labeled M etallocenes (M = Fe, Co). M etallocenylene B ridged B is(3-im idazolin-l-oxyls)

2001 ◽  
Vol 56 (7) ◽  
pp. 563-570
Author(s):  
Harald Dialer ◽  
Kurt Polbom ◽  
Wolfgang Beck
Keyword(s):  
Charge Transfer ◽  
Radical Anion ◽  
Room Temperature ◽  
Lithium Salt ◽  
Charge Transfer Complex ◽  
Magnetic Measurements ◽  
X Ray Diffraction ◽  
X Ray ◽  
A Charge ◽  
Different Sources

Abstract Radical Labeled M etallocenes (M = Fe, Co). M etallocenylene B ridged B is(3-im idazolin-l-oxyls) The addition of the lithium salt of the silyl protected hydroxylamine 1-hydroxy-2,2,4,5,5-pentamethyl-3-imidazoline (1) to 6 ,6 -dimethylfulvalene gives the lithium cyclopentadienide 2 from which the 1,1 '-substituted ferrocene and cobaltocinium derivatives 3 and 4 were obtained. Deprotection and oxidation of 3 and 4 afford the metallocenylene bridged bis(3-imidazolin-l-oxyls) 5 and 7. The ferrocene bridged diradical 5 forms with DDQ a charge transfer complex 8 . The complexes 5 and 7 were characterized by X-ray diffraction and by their EPR spectra. Magnetic measurements show at room temperature two independent spins for 5 and 7 and four unpaired electrons for 8 , the latter arising from three different sources [Fe(III) low spin d5, two nitroxides and DDQ- radical anion].

scholarly journals Structural Study of the Methylnaphthazarins. X-Ray Structure of the Tetramethylnaphthazarin, a Charge Transfer Complex

1986 ◽  
Vol 59 (12) ◽  
pp. 3957-3961 ◽  
Author(s):  
José-Gonzalo Rodriguez ◽  
Alfonso De Pablo ◽  
Pilar Smith-Verdier ◽  
Feliciana Florencio ◽  
Severino Garcia-Blanco
Keyword(s):  
Charge Transfer ◽  
Structural Study ◽  
Charge Transfer Complex ◽  
X Ray ◽  
A Charge

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.

ChemInform Abstract: 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)

ChemInform ◽  
1989 ◽  
Vol 20 (3) ◽  
Author(s):  
B. VIOSSAT ◽  
NGUYEN-HUY DUNG NGUYEN-HUY DUNG ◽  
J. C. DARAN ◽  
J. C. LANCELOT ◽  
M. ROBBA
Keyword(s):  
Charge Transfer ◽  
Charge Transfer Complex ◽  
X Ray ◽  
A Charge

scholarly journals Synthesis, Characterization, and X-Ray Crystal Structure of Bis(O-amyl dithiocarbonato-κ2S,S′)bis(4-cyanopyridine-κN)nickel(II)

2014 ◽  
Vol 2014 ◽  
pp. 1-5
Author(s):  
Kuldeep Singh ◽  
Sanjay Kapoor ◽  
Renu Sachar ◽  
Vivek K. Gupta ◽  
Rajni Kant
Keyword(s):  
Crystal Structure ◽  
Magnetic Moment ◽  
Direct Methods ◽  
Title Complex ◽  
X Ray Diffraction ◽  
Unit Cell Parameters ◽  
Orthorhombic Space Group ◽  
Full Matrix ◽  
X Ray ◽  
Cell Parameters

The [Ni(S2CO-n-C5H11)2(C6H4N2)2] adduct of 4-cyanopyridine with [Ni(S2CO-n-C5H11)2] was synthesized and characterized by elemental analysis, magnetic susceptibility measurement, IR, electronic spectral data, and X-ray diffraction analysis. The Ni atom in the title complex is octahedrally coordinated within a trans-N2S4 donor set, with the Ni atom located on a centre of inversion. The title compound exhibits magnetic moment value (3.20 B.M) which is in agreement with magnetic moment values observed for paramagnetic octahedral complexes of nickel(II). The title complex crystallizes in the orthorhombic space group Pbca with unit cell parameters a = 11.455(5), b = 9.602(4), and c = 26.374(1) Å. Crystal structure was solved by direct methods and refined by full matrix least-squares procedures to a final R value of 0.0499 for 2004 observed reflections. The amyl chain is disordered over two sets of sites, with occupancy ratios of 0.595 : 0.405. Infinite long chains of molecules are formed with the help of C–H⋯N hydrogen bond.

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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