scholarly journals Single-Crystal X-ray Structures of conductive π-Stacking Dimers of Tetrakis(alkylthio)benzene Radical Cations

2016 ◽  
Vol 6 (1) ◽  
Author(s):  
Xiaoyu Chen ◽  
Feng Gao ◽  
Wuqin Yang
Keyword(s):  
Single Crystal ◽  
Radical Cations ◽  
X Ray ◽  
Π Stacking

A clothes-peg-shaped binucleartrans-bis(2-aminotroponato)palladium(II) complex bearing pentamethylene spacers

2013 ◽  
Vol 69 (5) ◽  
pp. 503-505 ◽  
Author(s):  
Naruyoshi Komiya ◽  
Takeharu Kageyama ◽  
Masaya Naito ◽  
Takeshi Naota
Keyword(s):  
Single Crystal ◽  
Mass Spectroscopy ◽  
Crystalline State ◽  
Palladium Complex ◽  
X Ray Diffraction ◽  
X Ray ◽  
H Nmr ◽  
Π Stacking ◽  
Ft Ir ◽  
Molecular Unit

rac-Bis{μ-trans-2,2′-[pentane-1,5-diylbis(azanediyl)]ditroponato}dipalladium(II), [Pd2(C19H20N2O2)2], has been synthesized and fully characterized using single-crystal X-ray diffraction,1H NMR, FT–IR and mass spectroscopy. Thetranscoordination, vaulted structure andanticonformation have been unequivocally established from the X-ray diffraction studies. This is the first example of a bis(aminotroponato)palladium complex. In the crystalline state, the molecule has twofold symmetry and each molecular unit undergoes intermolecular offset π-stacking of the tropone rings to afford heterochiral interpenetrating dimers that are aligned in a lamellar manner with a herringbone packing motif.

scholarly journals A 1:1 energetic co-crystal formed between trinitrotoluene and 2,3-diaminotoluene

2018 ◽  
Vol 37 (1) ◽  
pp. 61 ◽  
Author(s):  
Nilgun Sen
Keyword(s):  
Single Crystal ◽  
Intermolecular Interactions ◽  
Crystal Packing ◽  
Main Mechanism ◽  
Oxygen Balance ◽  
X Ray Diffraction ◽  
X Ray ◽  
Fingerprint Plots ◽  
Hirshfeld Surfaces ◽  
Π Stacking

A 1:1 co-crystal of trinitrotoluene (TNT) and 2,3-diaminotoluene was prepared by solvent evapo- ration, and the structure of the co-crystal was determined by single-crystal and powder X-ray diffraction. The results indicate that the main mechanism of co-crystallization originates from the intermolecular hy- drogen bonding (amino-nitro) and π-π stacking. We also examined the Hirshfeld surfaces and associated fingerprint plots of the co-crystal and reveal that the structures are stabilized by H…H, O–H, O…O and C…C (π-π) intermolecular interactions. We analyzed the crystal packing and show its influence upon im- pact sensitivity. The results highlight that co-crystallization is an effective way to modify the sensitivity, oxygen balance and density of explosives. 

scholarly journals Synthesis, characterization and crystal structure of platinum(II) complexes with thiourea derivative ligands

2018 ◽  
Vol 9 (4) ◽  
pp. 360-368
Author(s):  
Ebru Keskin ◽  
Ummuhan Solmaz ◽  
Gun Binzet ◽  
Ilkay Gumus ◽  
Hakan Arslan
Keyword(s):  
Single Crystal ◽  
Weak Interactions ◽  
Platinum Complexes ◽  
Stacking Interactions ◽  
X Ray Diffraction ◽  
Thiourea Derivatives ◽  
X Ray ◽  
Π Stacking ◽  
Π Stacking Interaction ◽  
In Cis

Thiourea derivatives [N-(di-n-propylcarbamothioyl)-4-fluorobenzamide (HL1) and N-(di-n-propylcarbamothioyl)-4-bromobenzamide (HL2)] and their platinum complexes have been successfully synthesized and structurally characterized by spectroscopic 1H NMR, 13C NMR, COSY, HMQC, and FT-IR techniques. The structure of both complexes was also confirmed by single crystal X-ray diffraction studies. The study of X-ray single crystal diffraction shows that the supramolecular aggregation of the complexes is stabilized via weak interactions as well as stacking interactions such as C-H···π and π···π. The cis-[Pt(L1-S,O)2 showed C–H···π and π···π stacking interactions, whereas only C–H···π stacking interaction was observed in cis-[Pt(L2-S,O)2]. In addition, the strong classical and non-classical intermolecular hydrogen bonds are not found in the prepared complexes. Therefore, it can be said that the C–H···π and π···π stacking interactions play an important role in the formation of supramolecular structures of the complexes.

Synthesis and Structural Diversity of Triaryl(phenylethyl)silanes

Synthesis ◽  
2020 ◽  
Vol 52 (07) ◽  
pp. 1025-1034 ◽  
Author(s):  
Marvin Linnemannstöns ◽  
Beate Neumann ◽  
Hans-Georg Stammler ◽  
Norbert W. Mitzel
Keyword(s):  
Ir Spectroscopy ◽  
Single Crystal ◽  
Diffraction Analysis ◽  
Structural Diversity ◽  
Stacking Interactions ◽  
X Ray Diffraction ◽  
X Ray ◽  
Π Stacking ◽  
Folded Structure ◽  
Elemental Analyses

Starting from trichloro(phenylethyl)silane, six differently fluorinated triaryl(phenylethyl)silanes were synthesized by salt elimination reactions and their structures were determined by X-ray diffraction analysis. Tris(pentafluorophenyl)(phenylethyl)silane reveals a folded structure due to intramolecular π-stacking interactions, while those with a lower degree of fluorination show either intermolecular π-stacking or no interplay between the aryl groups. A similar folded structure was observed for (4-methylphenethyl)tris(pentafluorophenyl)silane and [2-(naphth-2-yl)ethyl]tris(pentafluorophenyl)silane, both generated from the corresponding trichlorosilanes. In contrast, the inversely fluorinated [2-(pentafluorophenyl)ethyl]triphenylsilane only revealed intermolecular π-stacking interactions. Compounds with tetrafluoropyridyl substituents behave differently; with these compounds, π-stacking is only observed between the fluorinated units. All compounds were analyzed by NMR and IR spectroscopy, elemental analyses and single-crystal X-ray diffraction, and found to have strong H/C/N/F···F and N···C contacts.

Self-induced organic guest packed in three-dimensional architecture based on hetero-alkali metallic sulfonatothiacalix[4]arene

RSC Advances ◽  
2016 ◽  
Vol 6 (23) ◽  
pp. 19155-19159 ◽  
Author(s):  
Uma Maheswara Rao Kunda ◽  
Manabu Yamada ◽  
Hiroshi Katagiri ◽  
Fumio Hamada
Keyword(s):  
Hydrogen Bonding ◽  
Single Crystal ◽  
Three Dimensional ◽  
X Ray Diffraction ◽  
X Ray ◽  
Π Interactions ◽  
Π Stacking

Inclusion behavior of pyridine N-oxide in the cavity of hetero-alkali metallic sulfonatothaicalix[4]arene was studied by single crystal X-ray diffraction studies. π–π stacking, S–π interactions and hydrogen bonding were mainly supported this complex.

Arene–perfluoroarene interactions in crystal engineering. Part 14. 1:1 Complexes of octafluoronaphthalene with fluorene and 9,10-dihydrophenanthrene

2006 ◽  
Vol 84 (2) ◽  
pp. 238-242 ◽  
Author(s):  
Jonathan C Collings ◽  
Andrei S Batsanov ◽  
Judith AK Howard ◽  
Todd B Marder
Keyword(s):  
Single Crystal ◽  
Key Words ◽  
Crystal Engineering ◽  
Molecular Complexes ◽  
X Ray Diffraction ◽  
X Ray ◽  
Face To Face ◽  
Π Stacking

The 1:1 molecular complexes of octafluoronaphthalene (OFN) with fluorene (1) and with 9,10-dihydrophenanthrene (2) were prepared by cocrystallization of the components and characterized by single-crystal X-ray diffraction. The structure of 1 can be described as a mixed-stack or a laminar checkerboard motif of alternating OFN and fluorene molecules, whilst slanted mixed-stack, herringbone, and face-to-face heteromolecular dimer motifs can all be recognised in 2.Key words: single crystal, X-ray structure, π stacking, fluoroarene.

Conformational analysis and potential anticancer activity of [Pt(phen)(L1-κS)2] studied by single crystal X-ray diffraction and variable temperature 1H and 195Pt NMR spectroscopy

2019 ◽  
Vol 43 (9) ◽  
pp. 3665-3672 ◽  
Author(s):  
Edmore F. Kangara ◽  
Tebogo Peega ◽  
Leonie Harmse ◽  
Juanita L. van Wyk ◽  
Demetrius C. Levendis ◽  
...  
Keyword(s):  
Nmr Spectroscopy ◽  
Conformational Analysis ◽  
Single Crystal ◽  
Anticancer Activity ◽  
Variable Temperature ◽  
Stacking Interactions ◽  
X Ray Diffraction ◽  
X Ray ◽  
Π Stacking

Conformers of [Pt(phen)(L1-κS)2] observed in solution as a result of π-stacking interactions between the unusual κS-coordinated N,N-diethyl-N′-1-naphthoylthioureato ligands and 1,10-phenanthroline.

Syntheses and Characterization of Two New Lead(II) Acetate Complexes, Pb(L)(CH3COO)2, L = 2,2':6',2''-Terpyridine (tpy) and 2,4,6-Tris(2-pyridyl)- 1,3,5-Triazine (trz), Crystal Structure of Pb(tpy)(CH3COO)2

2004 ◽  
Vol 59 (9) ◽  
pp. 1039-1044 ◽  
Author(s):  
Ali Morsali
Keyword(s):  
Crystal Structure ◽  
Single Crystal ◽  
Elemental Analysis ◽  
Lone Pair ◽  
Aromatic Rings ◽  
X Ray ◽  
Π Stacking ◽  
Coordinate Geometry ◽  
Oxygen Atoms

Lead(II) complexes with 2,2':6',2''-terpyridine (tpy) and 2,4,6-tris(2-pyridyl)-1,3,5-triazine (trz) ligands, [Pb(tpy)(CH3COO)2] and [Pb(trz)(CH3COO)2], have been synthesized and characterized by IR, CHN elemental analysis and 207Pb NMR. The structure of Pb(tpy)(CH3COO)2 was confirmed by single crystal X-ray data. The complex is monomeric and the Pb atom has an unsymmetrical seven-coordinate geometry, being coordinated by three nitrogen atoms of the 2,2’:6’,2”-terpyridine ligand and four oxygen atoms of the CH3COO− ligands. The arrangement of the ligands in the two complexes exhibits a coordination gap around the Pb(II) ion, occupied possibly by a stereoactive lone pair on lead(II). The coordination around lead atoms is hemidirected. The parallel aromatic rings in Pb(tpy)(CH3COO)2 show π − π stacking.

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.

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