Synthesis of Fluorine-Containing Tetraarylanthracenes via Ruthenium-Catalyzed C–O or C–F Arylation and their Crystal Structures

Synlett ◽  
2017 ◽  
Vol 28 (19) ◽  
pp. 2609-2613 ◽  
Author(s):  
Fumitoshi Kakiuchi ◽  
Akiko Izumoto ◽  
Hikaru Kondo ◽  
Takuya Kochi
Keyword(s):  
Solid State ◽  
Single Crystal ◽  
Diffraction Analysis ◽  
Fluorescence Spectra ◽  
Crystal Packing ◽  
Spectroscopic Studies ◽  
Carbonyl Groups ◽  
X Ray Diffraction ◽  
Aromatic Ketones ◽  
X Ray

Tetraarylanthracenes containing several fluoro groups were synthesized using the ruthenium-catalyzed C–O or C–F arylation with arylboronates and their structural and spectroscopic studies were conducted. The RuH2(CO)(PPh3)3-catalyzed C–O arylation of aromatic ketones was found to be effective for the introduction of aryl groups containing multiple fluoro groups. Anthracenes possessing fluorinated aryl groups were prepared in two steps from 1,4,5,8-tetramethoxyanthraquinone by C–O arylation and reduction of the carbonyl groups. A tetraphenylanthracene containing a fluorinated anthracene moiety was also prepared using C–F phenylation of octafluoroanthraquinone. Single-crystal X-ray diffraction analysis showed that the positions of fluoro groups on the tetraarylanthracenes lead to notable difference in the crystal packing structures. The larger difference between the tetraarylanthracenes was observed in the fluorescence spectra in the solid state than those in chloroform.

Synthesis, growth, structure and characterization of molybdenum zinc thiourea complex crystals

2015 ◽  
Vol 71 (3) ◽  
pp. 285-292 ◽  
Author(s):  
M. Rajasekar ◽  
K. Muthu ◽  
A. Aditya Prasad ◽  
R. Agilandeshwari ◽  
SP Meenakshisundaram
Keyword(s):  
Single Crystal ◽  
Diffraction Analysis ◽  
Intermolecular Interactions ◽  
Crystal Packing ◽  
Second Harmonic ◽  
Morphological Changes ◽  
Strong Interactions ◽  
X Ray Diffraction ◽  
X Ray ◽  
Cell Parameters

Single crystals of molybdenum-incorporated tris(thiourea)zinc(II) sulfate (MoZTS) are grown by the slow evaporation solution growth technique. Crystal composition as determined by single-crystal X-ray diffraction analysis reveals that it belongs to the orthorhombic system with space groupPca21and cell parametersa= 11.153 (2),b= 7.7691 (14),c= 15.408 (3) Å,V= 1335.14 (4) Å3andZ= 4. The surface morphological changes are studied by scanning electron microscopy. The vibrational patterns in FT–IR are used to identify the functional group and TGA/DTA (thermogravimetric analysis/differential thermal analysis) indicates the stability of the material. The structure and the crystallinity of the material were confirmed by powder X-ray diffraction analysis and the simulated X-ray diffraction (XRD) closely matches the experimental one with varied intensity patterns. The band gap energy is estimated using diffuse reflectance data by the application of the Kubelka–Munk algorithm. The relative second harmonic generation (SHG) efficiency measurements reveal that MoZTS has an efficiency comparable to that of tris(thiourea)zinc(II) sulfate (ZTS). Hirshfeld surfaces were derived using single-crystal X-ray diffraction data. Investigation of the intermolecular interactions and crystal packingviaHirshfeld surface analysis reveal that the close contacts are associated with strong interactions. Intermolecular interactions as revealed by the fingerprint plot and close packing could be the possible reasons for facile charge transfer leading to SHG activity.

Synthesis, spectroscopic studies, and single crystal X-ray diffraction analysis of a lead(II) based hybrid perovskite: morpholinium trichloroplumbate(II)

2016 ◽  
Vol 39 (5-6) ◽  
Author(s):  
Kuppukkannu Ramalingam ◽  
Corrado Rizzoli ◽  
Thangarasu Rajaraman ◽  
Manikandan Prabu
Keyword(s):  
Single Crystal ◽  
Diffraction Analysis ◽  
Spectroscopic Studies ◽  
X Ray Diffraction ◽  
X Ray ◽  
Hybrid Perovskite

AbstractMorpholinium trichloroplumbate(II), [

meso–meso Directly-linked trimeric and pentameric electron-deficient porphyrin–hexaphyrin hybrid arrays

2016 ◽  
Vol 20 (01n04) ◽  
pp. 245-253 ◽  
Author(s):  
Hirotaka Mori ◽  
Atsuhiro Osuka
Keyword(s):  
Crystal Structure ◽  
Solid State ◽  
Single Crystal ◽  
Diffraction Analysis ◽  
X Ray Diffraction ◽  
X Ray ◽  
Solid State Structures

meso–meso Directly-linked trimeric and pentameric porphyrin–hexaphyrin hybrid arrays 5 and 6 comprising of electron-deficient porphyrin units were prepared by cross-condensation of monomeric and dimeric electron-deficient meso-formyl porphyrins with a tripyrrane. The solid-state structures of 5 and 6 have been determined by single crystal X-ray diffraction analysis. The latter is the largest crystal structure of meso–meso linked multiporphyrinic array analogues reported to date.

A theoretical insight on the anion···anion interactions observed in the solid state structure of a herero-trinuclear complex

CrystEngComm ◽  
2021 ◽  
Author(s):  
Kousik Ghosh ◽  
Antonio Frontera ◽  
Shouvik Chattopadhyay
Keyword(s):  
Solid State ◽  
Single Crystal ◽  
Diffraction Analysis ◽  
Analytical Techniques ◽  
Trinuclear Complex ◽  
State Structure ◽  
X Ray Diffraction ◽  
X Ray ◽  
Potassium Complex ◽  
Theoretical Insight

A heteronuclear cobalt(III)/potassium complex, [(L1)2Co2K(L2)2], {Where, H2L1 = N,N-bis(3-ethoxysalicylidene)2,2-dimethyl-1,3-propanediamine and HL2 = 3-ethoxysalicylaldehyde}, has been synthesized and characterized by several analytical techniques including single crystal X-ray diffraction analysis. The energetic...

Generation and Stability of the gem-Diol Forms in Imidazole Derivatives Containing Carbonyl Groups. Solid-State NMR and Single-Crystal X-ray Diffraction Studies

2018 ◽  
Vol 122 (2) ◽  
pp. 601-609 ◽  
Author(s):  
Ayelén Florencia Crespi ◽  
Agustín Jesús Byrne ◽  
Daniel Vega ◽  
Ana Karina Chattah ◽  
Gustavo Alberto Monti ◽  
...  
Keyword(s):  
Solid State ◽  
Single Crystal ◽  
Solid State Nmr ◽  
Carbonyl Groups ◽  
X Ray Diffraction ◽  
X Ray ◽  
Imidazole Derivatives

Modes of Xanthine Complexation to Dirhodium Tetrakis[(R)-α-methoxy-α- (trifluoromethyl)-phenylacetate] in Solution and in the Solid State

2001 ◽  
Vol 56 (3) ◽  
pp. 319-324 ◽  
Author(s):  
Sven Rockitt ◽  
Rudolf Wartchow ◽  
Helmut Duddeck ◽  
Anna Drabczynska ◽  
Katarzyna Kiec-Kononowicz
Keyword(s):  
Solid State ◽  
Diffraction Analysis ◽  
Carbonyl Group ◽  
Enantiomeric Excess ◽  
Carbonyl Groups ◽  
X Ray Diffraction ◽  
Nmr Studies ◽  
X Ray ◽  
C Nmr

Abstract It is show n by IR and NMR studies that the xanthines 1-5 prefer a side-on com plexation to the chiral dirhodium tetrakis[(R)-α-methoxy-α-(trifluoromethyl)phenylacetatel (Rh*) in solution whereas carbonyl groups are involved in the solid state. For 6, at least the carbonyl group C-6 contributes to complexation in solution as well. A lternating strands of 6 and Rh* exist in the solid state as revealed by X-ray diffraction analysis described in detail. The determination of enantiomeric excess of the chiral xanthine 6 can easily be accomplished by the “dirhodium method ” (1H and 13C NMR in the presence of Rh*).

scholarly journals Bismuth⋅⋅⋅π arene interaction in [Bi{OC6H4(CH2C6H5)-2}3]2

2019 ◽  
Vol 42 (1) ◽  
pp. 46-50
Author(s):  
Felix Roschke ◽  
Günther Thiele ◽  
Stefanie Dehnen ◽  
Michael Mehring
Keyword(s):  
Solid State ◽  
Ir Spectroscopy ◽  
Single Crystal ◽  
Diffraction Analysis ◽  
Structural Feature ◽  
X Ray Diffraction ◽  
X Ray ◽  
Dimeric Unit ◽  
Characteristic Structural Feature

Abstract We report on the synthesis of a new bismuth aryloxide molecule Bi[OC6H4(CH2C6H5)-2]3 (1), which was characterized by NMR and IR spectroscopy as well as single-crystal X-ray diffraction analysis. A characteristic structural feature is the dimeric unit with a central Bi2O2 core resulting from μ-binding phenolates. In addition, both bismuth atoms show a Bi⋅⋅⋅π arene interaction with a quite short Bi⋅⋅⋅πcentroid distance of 3.11 Å in the solid state.

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