scholarly journals New Radical-Cation Salts Based on the TMTTF and TMTSF Donors with Iron and Chromium Bis(Dicarbollide) Complexes: Synthesis, Structure, Properties

Crystals ◽  
2021 ◽  
Vol 11 (9) ◽  
pp. 1118
Author(s):  
Denis M. Chudak ◽  
Olga N. Kazheva ◽  
Irina D. Kosenko ◽  
Gennady V. Shilov ◽  
Igor B. Sivaev ◽  
...  
Keyword(s):  
Single Crystal ◽  
Radical Cation ◽  
Wide Temperature Range ◽  
Electrophysical Properties ◽  
Narrow Gap ◽  
X Ray Diffraction ◽  
X Ray ◽  
The Third ◽  
Radical Cation Salts ◽  
Structure Properties

New radical-cation salts based on tetramethyltetrathiafulvalene (TMTTF) and tetramethyltetraselenefulvalene (TMsTSF) with metallacarborane anions (TMTTF)[3,3′-Cr(1,2-C2B9H11)2], (TMTTF)[3,3′-Fe(1,2-C2B9H11)2], and (TMTSF)2[3,3′-Cr(1,2-C2B9H11)2] were synthesized by electrocrystallization. Their crystal structures were determined by single crystal X-ray diffraction, and their electrophysical properties in a wide temperature range were studied. The first two salts are dielectrics, while the third one is a narrow-gap semiconductor: σRT = 5 × 10−3 Ohm−1cm−1; Ea ≈ 0.04 eV (aprox. 320 cm−1).

Die Kristallstrukturen der isotypen Verbindungen Ba3[MoN4] und Ba3[WN4] / The Crystal Structures of the Isotypic Compounds Ba3[MoN4] and Ba3[WN4]

1991 ◽  
Vol 46 (5) ◽  
pp. 566-572 ◽  
Author(s):  
Axel Gudat ◽  
Peter Höhn ◽  
Rüdiger Kniep ◽  
Albrecht Rabenau
Keyword(s):  
Transition Metals ◽  
Single Crystal ◽  
Crystal Structures ◽  
Structure Type ◽  
X Ray Diffraction ◽  
X Ray ◽  
Ternary Compounds ◽  
The Third

The isotypic ternary compounds Ba3[MoN4] and Ba3[WN4] were prepared by reaction of the transition metals with barium (Ba3N2, resp.) under nitrogen. The crystal structures were determined by single crystal X-ray diffraction: Ba3[MoN4] (Ba3[WN4]): Pbca; Z = 8; a = 1083.9(3) pm (1091.8(3) pm), b = 1030.3(3) pm (1037.5(3) pm), c = 1202.9(3) pm (1209.2(4) pm). The structures contain isolated tetrahedral anions [MN4]6- (M = Mo, W) which are arranged in form of slightly distorted hexagonal layers and which are stacked along [010] with the sequence (···AB···). Two of the three Ba atoms are situated between, the third one is placed within the layers of [MN4]-groups. In this way the structures can be derived from the Na3As structure type.

Trigold(I) Phosphine Derivatives of Clusters Containing Octahedral Rh2Ru4B-Boride Cores: The X-Ray Structure of [Rh2Ru4(CO)15Rh2Ru4B{AuPCy3}3] (Cy = cyclohexyl)

1999 ◽  
Vol 64 (6) ◽  
pp. 959-970 ◽  
Author(s):  
Andrew D. Hattersley ◽  
Catherine E. Housecroft ◽  
Arnold L. Rheingold
Keyword(s):  
Nmr Spectroscopy ◽  
Single Crystal ◽  
Boron Atom ◽  
Variable Temperature ◽  
Mass Spectrometric ◽  
X Ray Diffraction ◽  
X Ray ◽  
The Third ◽  
Phosphine Derivatives ◽  
Derivatives Of

The reaction of [Rh(CO)2Cl]2 with [HRu4(CO)12BH]- followed by treatment with an excess (at least three-fold) of [Cy3PAuCl] (Cy = cyclohexyl) leads to the formation of [Rh2Ru4(CO)16B{AuPCy3}] (previously prepared by another route) and [Rh2Ru4(CO)15B{AuPCy3}3]. The new trigold derivative has been characterized by spectroscopic and mass spectrometric methods, and by single crystal X-ray diffraction. It possesses an octahedral Rh2Ru4 core containing an interstitial boron atom; two of the gold(I) phosphine units cap two adjacent faces and the third bridges an edge of the octahedral cage. There are no close Au···Au contacts. Reactions of [Rh2Ru4(CO)16B]- with [(R3PAu)3O]+ (R = Ph, 2-MeC6H4) resulted in the formation of [Rh2Ru4(CO)15B{AuPR3}3]; for R = Ph, two isomers in respect of the arrangements of the AuPPh3 were isolated. Fluxional processes involving the gold(I) phosphine fragments have been observed using solution variable-temperature 31P NMR spectroscopy.

scholarly journals A New Modification of Rb[Al(NH2)4] and Condensation in Solid State

Crystals ◽  
2020 ◽  
Vol 10 (11) ◽  
pp. 1018
Author(s):  
Christian Bäucker ◽  
Rainer Niewa
Keyword(s):  
Crystal Structure ◽  
Single Crystal ◽  
Structural Modification ◽  
Thermal Gravimetric ◽  
X Ray Diffraction ◽  
Surrounding Area ◽  
Rietveld Refinements ◽  
X Ray ◽  
The Third ◽  
Infrared And Raman Spectroscopy

A new modification of Rb[Al(NH2)4] in space group C2/c, which differs from the known structural modification in the way the [Al(NH2)4]−-tetrahedra are arranged in the surrounding area of the rubidium cation, was obtained from ammonothermal synthesis at 673 K and 680 bar. The crystal structure was determined by Rietveld refinements and further investigated by infrared and Raman spectroscopy. Thermal gravimetric investigations indicate two decomposition steps up to 450 °C, which can be assigned to ammonia leaving the material while the sample liquefies. During the third and final step, volatile rubidium amide is released, leaving nano-scaled cubic AlN behind. Investigating differently aged samples implies decomposition and condensation of amidoaluminate ions already at ambient temperature, which is supported by refinements of single crystal X-ray diffraction data, revealing lower nitrogen amounts than expected. The observed single crystal also exhibits a significantly smaller volume than the reported structures, further supporting the decomposition–condensation mechanism.

In situ growth of an ethyl p-hydroxybenzoate single crystal by the vertical Bridgman technique: a potential nonlinear optical material for third-harmonic generation

2021 ◽  
Vol 54 (5) ◽  
pp. 1340-1348
Author(s):  
Debabrata Nayak ◽  
N. Vijayan ◽  
Manju Kumari ◽  
Kiran ◽  
Nikita Vashistha ◽  
...  
Keyword(s):  
Single Crystal ◽  
Laser Damage Threshold ◽  
Laser Source ◽  
Dihydrogen Phosphate ◽  
X Ray Diffraction ◽  
Bridgman Technique ◽  
Third Order ◽  
X Ray ◽  
The Third ◽  
Vertical Bridgman

Optically transparent single crystals of ethyl p-hydroxybenzoate (EPHB) were successfully grown by the vertical Bridgman technique. The crystalline phase and unit-cell dimensions were obtained from powder X-ray diffraction using Rietveld analysis. The presence of defects and grain boundaries was investigated by high-resolution X-ray diffraction. The optical quality of the grown single crystal was assessed by UV–Vis and photoluminescent spectroscopies. A blue emission, with a bi-exponential decay time, was obtained from time-resolved photoluminescence upon laser excitation at 266 nm. The mechanical strength of the EPHB single crystal was studied by Vickers hardness testing. A decrease in the laser-damage threshold was observed with a nanosecond Nd:YAG laser source for increased pulse repetition rates. The third-order nonlinearity, nonlinear absorption coefficient and nonlinear refractive index were measured using the Z-scan technique with a femtosecond Ti:sapphire laser. The third-order nonlinear coefficient values for the grown crystal were compared with those of a potassium dihydrogen phosphate single crystal.

Cd and Hg coordination complexes based on a heterocyclic multidentate ligand: Synthesis, structures and photoluminescence properties

2017 ◽  
Vol 41 (5) ◽  
pp. 275-279
Author(s):  
Jiyong Hu ◽  
Fan Yang ◽  
Jin'an Zhao
Keyword(s):  
Single Crystal ◽  
Coordination Complexes ◽  
Chain Structure ◽  
Photoluminescence Properties ◽  
X Ray Diffraction ◽  
One Dimensional ◽  
X Ray ◽  
Multidentate Ligand ◽  
The Third ◽  
Binuclear Structure

The complexes [Cd(cpbi)Cl2]·(H2O), [Hg2(cpbi)2Cl4] and [Hg(cpbi)Br2] (cpbi = [5-chloro-2-(pyrazin-2-yl)-1H-benzoimidazole]) have been synthesised using solvent evaporation reactions and structurally characterised by single-crystal X-ray diffraction. The first complex displays a one-dimensional (1-D) chain structure, the second has a binuclear structure, while the third is mononuclear. The complexes show different luminescence properties.

Synthesis, Characterization, and Theoretical Studies of cis-Dichloridobis(8-quinolinethiolato)tin(IV) and bis(8-Sulfanylquinolinium) Hexachloridostannate(IV) Derivatives

2020 ◽  
Vol 73 (12) ◽  
pp. 1128
Author(s):  
Rajesh Deka ◽  
Arup Sarkar ◽  
Harkesh B. Singh ◽  
Peter C. Junk ◽  
David R. Turner ◽  
...  
Keyword(s):  
Electronic Structure ◽  
Dft Calculations ◽  
Single Crystal ◽  
Dimethyl Sulfoxide ◽  
Molecular Structures ◽  
Theoretical Studies ◽  
X Ray Diffraction ◽  
X Ray ◽  
Structural Characterisation ◽  
Structure Properties

The structural characterisation of bis(8-sulfanylquinolinium) hexachloridostannate(iv) (2) is reported and the variable reaction behaviour of this compound in different solvents has been explored. In particular, attempted recrystallization of 2 from chloroform and dichloromethane affords two polymorphs of cis-dichloridobis(8-quinolinethiolato)tin(iv), 3m and 3t, respectively. Attempted recrystallization of 2 from methanol gives crystals of 8,8′-dithiodiquinolinium hexachloridostannate(iv) 4. When 2 is dissolved in dimethyl sulfoxide in the presence of air, it undergoes oxidation to afford diquinolinyl-8,8′-disulfide 5. The molecular structures of the isolated compounds 2–4 are unambiguously authenticated by single crystal X-ray diffraction studies. The electronic structure properties of all the isolated compounds 2–4 are thoroughly studied by DFT calculations.

Gas-flame, high-temperature apparatus for single-crystal X-ray diffraction studies

1981 ◽  
Vol 154 (1-2) ◽  
Author(s):  
Takamitsu Yamanaka ◽  
Yoshio Takéuchi ◽  
Ryoichi Sadanaga
Keyword(s):  
High Temperature ◽  
Single Crystal ◽  
X Ray Diffraction ◽  
Flow Rates ◽  
X Ray ◽  
The Third ◽  
Accessory Device ◽  
Gas Flame ◽  
Nozzle Head ◽  
High Temperature Gas

AbstractA new high-temperature gas-flame heater utilizing three different kinds of gases has been constructed for single-crystal diffractometry and for photography. The whole system of the heater consists of a burner and gas controller. The temperature control of the heater is carried out by changing the ratio of the flow rates of propane, oxygen and nitrogen gases; the third gas plays a role in increasing blower pressure of the flame and reducing fluctuation of the sample temperature. The heater can thus stably provide a temperature ranging from about 1000°C up to about 2000 °C within a deviation of ± 20 °C.The burner has at its end a nozzle head in which five holes are so opened that gas flowing through the holes converges to a point 10 mm distant from the head. An accessory device is described which facilitates measuring directly the sample temperatures during the collection of reflection intensities with the single-crystal diffractometer.

scholarly journals Structure of toluene6.4-ZSM-5 and the toluene disproportionation reaction on ZSM-5

2005 ◽  
Vol 61 (2) ◽  
pp. 160-163 ◽  
Author(s):  
Koji Nishi ◽  
Akira Hidaka ◽  
Yoshinobu Yokomori
Keyword(s):  
Single Crystal ◽  
Unit Cell ◽  
The Other ◽  
Disproportionation Reaction ◽  
High Loading ◽  
X Ray Diffraction ◽  
X Ray ◽  
Toluene Disproportionation ◽  
Channel One ◽  
The Third

The structure of a high-loading complex of ZSM-5 with 6.4 toluene molecules per unit cell has been determined by single-crystal X-ray diffraction. At least three kinds of toluene molecules were identified in the unit cell. Two disordered toluene molecules were located at the intersection of the straight and sinusoidal channels, the third in the sinusoidal channel. One (TOL1) of the two toluene orientations at the intersection was similar to that of p-dichlorobenzene at the intersection in high-loaded H-ZSM-5/p-xylene (hereafter 8PARA) and high-loaded H-ZSM-5/p-dichlorobenzene (hereafter 8PDCB) complexes, respectively. The other toluene orientation (TOL2) at the intersection was similar to those of p-xylene or p-dichlorobenzene at the intersection in the low-loaded p-dichlorobenzene complex (hereafter 2.6PDCB). A third toluene orientation (TOL3) existed in the sinusoidal channel; its orientation was similar to those of p-xylene and p-dichlorobenzene in the sinusoidal channels in 8PARA and 8PDCB complexes, respectively. If the occupancy of TOL2 at the intersection increases with temperature, TOL2 will connect with TOL3 in the sinusoidal channel and form the intermediate diphenylmethane

Electron Microscopy of Shock Loaded Polycrystalline Beryllium

1974 ◽  
Vol 32 ◽  
pp. 506-507 ◽  
Author(s):  
J. M. Galbraith ◽  
L. E. Murr ◽  
A. L. Stevens
Keyword(s):  
Electron Microscopy ◽  
Wave Propagation ◽  
Structural Change ◽  
Single Crystal ◽  
Diffraction Pattern ◽  
Shock Loading ◽  
Slip Systems ◽  
Compression Tests ◽  
X Ray Diffraction ◽  
X Ray

Uniaxial compression tests and hydrostatic tests at pressures up to 27 kbars have been performed to determine operating slip systems in single crystal and polycrystal1ine beryllium. A recent study has been made of wave propagation in single crystal beryllium by shock loading to selectively activate various slip systems, and this has been followed by a study of wave propagation and spallation in textured, polycrystal1ine beryllium. An alteration in the X-ray diffraction pattern has been noted after shock loading, but this alteration has not yet been correlated with any structural change occurring during shock loading of polycrystal1ine beryllium.This study is being conducted in an effort to characterize the effects of shock loading on textured, polycrystal1ine beryllium. Samples were fabricated from a billet of Kawecki-Berylco hot pressed HP-10 beryllium.

Crystal structure of an inclusion complex between chiral monoaza-15-crown-5 and S(–)-1-phenyl-ethyl ammonium percholorate

2003 ◽  
Vol 218 (5) ◽  
Author(s):  
Süheyla Özbey ◽  
F. B. Kaynak ◽  
M. Toğrul ◽  
N. Demirel ◽  
H. Hoşgören
Keyword(s):  
Crystal Structure ◽  
Inclusion Complex ◽  
Single Crystal ◽  
X Ray Diffraction ◽  
Space Group ◽  
X Ray ◽  
New Type

AbstractA new type of inclusion complex, S(–)-1 phenyl ethyl ammonium percholorate complex of R-(–)-2-ethyl - N - benzyl - 4, 7, 10, 13 - tetraoxa -1- azacyclopentadecane, has been prepared and studied by NMR, IR and single crystal X-ray diffraction techniques. The compound crystallizes in space group

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