Functionalized Tetrathiafulvalene Derivatives and their Radical Cation Salts: Synthesis and X-Ray Crystal Structures

1997 ◽  
Vol 488 ◽  
Author(s):  
Martin R. Bryce ◽  
Adrian J. Moore ◽  
Andrei S. Batsanov ◽  
Antony Chesney ◽  
Clare L. Wood ◽  
...  
Keyword(s):  
Solid State ◽  
Crystal Structures ◽  
Intermolecular Interactions ◽  
Radical Cation ◽  
X Ray ◽  
Radical Cation Salts ◽  
Radical Ion Salts ◽  
New Donors

AbstractWe report our investigations into tetrathiafulvalene (TTF) derivatives bearing N-methylthiocarbamoyl and halogen substituents which engage in intermolecular interactions in the solid state. The synthesis of new donors is presented, along with the X-ray crystal structures of some of these derivatives and their radical ion salts.

Preparation and X-ray crystal structures of the first radical cation salts of4-iodotetrathiafulvalene: [ITTF.+]2{Pd[S2C2(CN) 2]2}2− and ITTF .+HSO4−

1997 ◽  
Vol 7 (3) ◽  
pp. 387-389 ◽  
Author(s):  
Andrei S. Batsanov ◽  
Adrian J. Moore ◽  
Neil Robertson ◽  
Andrew Green ◽  
Martin R. Bryce ◽  
...  
Keyword(s):  
Crystal Structures ◽  
Radical Cation ◽  
X Ray ◽  
Radical Cation Salts

Intermolecular interactions and electronic properties in phosphino-(oligothiophene) palladium(II) and platinum(II) complexes

2007 ◽  
Vol 85 (5) ◽  
pp. 383-391 ◽  
Author(s):  
Tracey L Stott ◽  
Michael O Wolf ◽  
Brian O Patrick
Keyword(s):  
Solid State ◽  
Metal Complexes ◽  
Electronic Properties ◽  
Crystal Structures ◽  
Structural Properties ◽  
Absorption Spectra ◽  
Intermolecular Interactions ◽  
Electronic Spectra ◽  
X Ray ◽  
Π Stacking

A series of Pt(II) and Pd(II) complexes containing diphenylphosphino-substituted oligothiophene ligands ranging from 1 to 3 thiophene rings in length have been prepared. Crystal structures of four of these complexes were determined via single X-ray crystal diffraction and the solid-state packing arrangements found to vary with both the metal and the thiophene-containing ligand. In some cases, π-stacking between thiophene rings are found for the oligothiophene ligands. Solution and solid-state absorption spectra of these complexes are reported.Key words: oligothiophenes, metal complexes, structural properties, electronic spectra.

Synthesis and X-ray crystal structures of radical cation salts of benzo-TTF derivatives with Cu2Cl62−, CuCl42− and ClO4− anions

2011 ◽  
Vol 161 (17-18) ◽  
pp. 1800-1804 ◽  
Author(s):  
Louiza Boudiba ◽  
Abdelkrim Gouasmia ◽  
Stéphane Golhen ◽  
Lahcène Ouahab
Keyword(s):  
Crystal Structures ◽  
Radical Cation ◽  
X Ray ◽  
Radical Cation Salts

Studies on Aromatic Trichromophore Systems Incorporating Anthracene Moieties. II. Crystal Structures of 2-(9-Anthryl)-1-(9-anthrylmethyl)ethyl 2-(9-Phenanthryl)-ethyl Succinate (A2PHEN) and 2-(9-Anthryl)-1-(9-anthrylmethyl)ethyl Methyl Succinate (A2SC) and Their Fluorescence in the Solid State

1994 ◽  
Vol 47 (3) ◽  
pp. 423 ◽  
Author(s):  
M Cotrait ◽  
P Marsau ◽  
L Kessab ◽  
S Grelier ◽  
A Nourmamode ◽  
...  
Keyword(s):  
Solid State ◽  
Crystal Structures ◽  
Intermolecular Interactions ◽  
Intramolecular Interactions ◽  
Van Der Waals Interactions ◽  
X Ray Diffraction ◽  
X Ray ◽  
Ethyl Methyl ◽  
Molecular Fluorescence ◽  
Ester Chain

The structures of 2-(9-anthryl)-1-(9-anthrylmethyl)ethyl 2-(9-phenanthryl)ethyl succinate (A2PHEN) and 2-(9-anthryl)-1-(9-anthrylmethyl)ethyl methyl succinate (A2SC) have been determined by X-ray diffraction, and the molecular fluorescence of the crystals has been established. The two crystals are monoclinic. A2PHEN: C 2/c, a 39.47(1), b 9.718(2), c 19.924(8) Ǻ; β 97.81(3)°; R 0.036 for 2903 unique reflections. A2SC: P 21/c, a 16.248(2), b 10.325(2), c 18.052(2) Ǻ. β 114.20(3)°; R 0.044 for 2586 unique reflections. For both structures, the bisanthracene moiety and a large part of the ester chain show similar conformations. The crystal cohesion is due to intermolecular π overlapping between one of the anthracene components of the bichromophore moiety and to numerous van der Waals interactions. No intramolecular interactions between the phenanthrene and the anthracene moieties are observed in A2PHEN. The fluorescence emissions of A2PHEN and A2SC are of excimer type, and correlate well with the intermolecular interactions between the anthracene rings.

Bis(1-phenyl-1-propyne) complexes of tungsten(II): crystal structures of [WI2(CO)(NCR)(η2-MeC2Ph)2] (R = Me, Et, or Ph)

2001 ◽  
Vol 79 (3) ◽  
pp. 263-271
Author(s):  
Paul K Baker ◽  
Michael GB Drew ◽  
Deborah S Evans
Keyword(s):  
Carbon Monoxide ◽  
Solid State ◽  
Crystal Structures ◽  
Octahedral Geometry ◽  
X Ray ◽  
X Ray Crystallography ◽  
Alkyne Complexes ◽  
First Time

Reaction of [WI2(CO)3(NCMe)2] with two equivalents of 1-phenyl-1-propyne (MeC2Ph) in CH2Cl2, and in the absence of light, gave the bis(1-phenyl-1-propyne) complex [WI2(CO)(NCMe)(η2-MeC2Ph)2] (1) in 77% yield. Treatment of equimolar quantities of 1 and NCR (R = Et, i-Pr, t-Bu, Ph) in CH2Cl2 afforded the nitrile-exchanged products, [WI2(CO)(NCR)(η2-MeC2Ph)2] (2-5) (R = Et (2), i-Pr (3), t-Bu (4), Ph (5)). Complexes 1, 2, and 5 were structurally characterized by X-ray crystallography. All three structures have the same pseudo-octahedral geometry, with the equatorial sites being occupied by cis and parallel alkyne groups, which are trans to the cis-iodo groups. The trans carbon monoxide and acetonitrile ligands occupy the axial sites. In structures 1 and 2, the methyl and phenyl substituents of the 1-phenyl-1-propyne ligands are cis to each other, whereas for the bulkier NCPh complex (5), the methyl and phenyl groups are trans to one another. This is the first time that this arrangement has been observed in the solid state in bis(alkyne) complexes of this type.Key words: bis(1-phenyl-1-propyne), carbonyl, nitrile, diiodo, tungsten(II), crystal structures.

scholarly journals NOTIZEN. Weitere Verbindungen vom Typ A3NO3: K3NO3 und Rb3NO3 / Further Compounds Typ A3NO3: K3NO3 and Rb3NO3

1980 ◽  
Vol 35 (2) ◽  
pp. 237-238 ◽  
Author(s):  
Martin Jansen
Keyword(s):  
Solid State ◽  
Crystal Structures ◽  
Solid State Reaction ◽  
X Ray

Abstract K3NO3 and RbsNO3 were prepared by solid state reaction of equimolar mixtures of K2O/KNO2 and Rb20/RbN02, respectively. According to X-ray powder photographs their crystal structures are derived from the perovs-kite structure. K3NO3 is isostructural with Na3NO3 (a = 521.7 pm, Z = 1), Rb3NO3 represents a tetragonally distorted variant with a = 770.5, c = 550.8 pm and Z = 2.

Substituent and Solvent Effects on Intermolecular Interactions in Crystals of N-Acylhydrazone Derivatives: Single-Crystal X-ray, Solid-State NMR, and Computational Studies

2014 ◽  
Vol 14 (5) ◽  
pp. 2263-2281 ◽  
Author(s):  
Liliana Mazur ◽  
Katarzyna N. Jarzembska ◽  
Radosław Kamiński ◽  
Krzysztof Woźniak ◽  
Edyta Pindelska ◽  
...  
Keyword(s):  
Solid State ◽  
Single Crystal ◽  
Intermolecular Interactions ◽  
Solvent Effects ◽  
Solid State Nmr ◽  
Computational Studies ◽  
X Ray

scholarly journals Ab initio computation for solid-state 31P NMR of inorganic phosphates: revisiting X-ray structures

2019 ◽  
Vol 21 (19) ◽  
pp. 10070-10074 ◽  
Author(s):  
Kartik Pilar ◽  
Zeyu Deng ◽  
Molleigh B. Preefer ◽  
Joya A. Cooley ◽  
Raphaële Clément ◽  
...  
Keyword(s):  
Solid State ◽  
Chemical Shift ◽  
Ab Initio ◽  
Crystal Structures ◽  
31P Nmr ◽  
Geometry Optimization ◽  
Chemical Shift Tensors ◽  
X Ray ◽  
Ab Initio Computation ◽  
Inorganic Phosphates

The complete 31P NMR chemical shift tensors for 22 inorganic phosphates obtained from ab initio computation are found to correspond closely to experimentally obtained parameters. The cases where correspondence is significantly improved upon geometry optimization point to the crystal structures requiring correction.

Dimethyl-, Disilyl- and Digermylsulfide: Different Intermolecular Contacts in the Solid State

2004 ◽  
Vol 59 (6) ◽  
pp. 635-638 ◽  
Author(s):  
Norbert W. Mitzel ◽  
Udo Losehand
Keyword(s):  
Solid State ◽  
Low Temperature ◽  
Crystal Structures ◽  
X Ray Diffraction ◽  
X Ray ◽  
Intermolecular Contacts

The compounds (H3C)2S, (H3Si)2S and (H3Ge)2S have been crystallised in situ on a diffractometer and their crystal structures determined by low-temperature X-ray diffraction. The molecules are present as monomers in the crystals. The aggregation of the molecules through secondary intermolecular contacts in the crystal is different: (H3C)2S is weakly associated into dimers by S···S contacts, whereas (H3Si)2S and (H3Ge)2S form Si···S and Ge···S contacts in an ice-analogous aggregation motif. Important geometry parameters are (H3C)2S: C-S 1.794(av) Å , C-S-C 99.2(1)°; (H3Si)2S: Si- S 2.143(1) Å , Si-S-Si 98.4°; (H3Ge)2S Ge-S 2.223(2) and 2.230(2) Å , Ge-S-Ge 98.2(1)◦.

Sign in / Sign up

Export Citation Format

Share Document