Synthesis, X-Ray Crystallography, Theoretical Investigation and Optical Properties of 2-Chloro-N-(2,4-dinitrophenyl) Acetamide

2021 ◽  
Author(s):  
Piangkwan Jansukra ◽  
Worawat Wattanathana ◽  
Tanwawan Duangthongyou ◽  
Suttipong Wannapaiboon ◽  
Apisit Songsasean ◽  
...  
Keyword(s):  
Optical Properties ◽  
Theoretical Investigation ◽  
X Ray ◽  
X Ray Crystallography

scholarly journals Crystal Structures and Optical Properties of Two Novel 1,3,5-Trisubstituted Pyrazoline Derivatives

Crystals ◽  
2018 ◽  
Vol 8 (12) ◽  
pp. 467
Author(s):  
Qi Feng ◽  
Wenhui Huan ◽  
Jiali Wang ◽  
Jiadan Lu ◽  
Guowang Diao ◽  
...  
Keyword(s):  
Optical Properties ◽  
Charge Transfer ◽  
Solid State ◽  
Physical Properties ◽  
Intramolecular Charge Transfer ◽  
Solvent Polarity ◽  
Dihedral Angles ◽  
Polar Solvents ◽  
X Ray ◽  
X Ray Crystallography

Two novel 1,3,5-trisubstituted pyrazoline derivatives—1-acetyl-3-(4-methoxyphenyl)-5-(6-methoxy-2-naphthyl)-pyrazoline (2a) and 1-(4-nitrophenyl)-3-(4-methoxyphenyl)-5-(6-methoxy-2-naphtyl)-pyrazoline (2b)—were synthesized and their structures were determined by single crystal X-ray crystallography. Both of the two crystals exhibit twisted structures due to the large dihedral angles between the pyrazolinyl ring and the aromatic ring at the 5-position (88.09° for 2a and 71.26° for 2b). The optical–physical properties of the two compounds were investigated. The fluorescent emission of 2b arises from the 1,3-disubstituted pyrazoline chromophores and exhibits a red shift in polar solvents and solid-state, which could be attributed to photo-induced intramolecular charge transfer (ICT) from N1 to C3 in the pyrazoline moiety and the intermolecular interactions within the crystal. The fluorescent emissions of 2a (λmax 358–364 nm) in solvents and solid-state both come from 6-methoxy-2-naphthyl chromophores, which are fairly insensitive to the solvent polarity.

scholarly journals Synthesis and Fluorescent Properties of Novel Isoquinoline Derivatives

Molecules ◽  
2019 ◽  
Vol 24 (22) ◽  
pp. 4070 ◽  
Author(s):  
Łukasz Balewski ◽  
Franciszek Sączewski ◽  
Maria Gdaniec ◽  
Anita Kornicka ◽  
Karolina Cicha ◽  
...  
Keyword(s):  
Optical Properties ◽  
Potassium Carbonate ◽  
Research Work ◽  
Coupling Reaction ◽  
Fluorescent Properties ◽  
X Ray ◽  
X Ray Crystallography ◽  
Ring Compounds ◽  
Type Coupling ◽  
Isoquinoline Derivatives

Isoquinoline derivatives have attracted great interest for their wide biological and fluorescent properties. In the current study, we focused on the synthesis of a series of novel isoquinoline derivatives substituted at position 3 of the heteroaromatic ring. Compounds were obtained in a Goldberg–Ullmann-type coupling reaction with appropriate amides in the presence of copper(I) iodide, N,N-dimethylethylenediamine (DMEDA), and potassium carbonate. The structures of novel isoquinolines were confirmed by IR, NMR, and elemental analysis, as well as X-ray crystallography. In the course of our research work, the visible fluorescence of this class of compounds was observed. The above findings prompted us to investigate the optical properties of the selected compounds.

Dinuclear Lanthanide(III) Complexes Showing Single-Molecule Magnet Behaviour and Optical Properties

2020 ◽  
Vol 73 (7) ◽  
pp. 647
Author(s):  
Ruo-Xi Chen ◽  
Ou Sun ◽  
Yuan-Yi Xu ◽  
Yue Qi ◽  
Bo-Yu Xie ◽  
...  
Keyword(s):  
Optical Properties ◽  
Schiff Base ◽  
Single Molecule ◽  
Energy Barrier ◽  
Methanol Solution ◽  
Single Molecule Magnet ◽  
Cadmium Ions ◽  
X Ray ◽  
X Ray Crystallography ◽  
Magnetic Analysis

Three dinuclear lanthanide(iii) complexes with an acetate bridge, which are synthesised by a Salen-type Schiff base and β-diketonate ligands, i.e. [Ln2L2(TTA)4(OAc)2]·CH2Cl2 (Ln=Eu (1), Gd (2), Dy (3); TTA=thenoyltrifluoroacetonate, H2L=N,N′-ethylenebis(salicylideneimine), are investigated. We obtained the structures of complexes 1–3 by X-ray crystallography. Notably, in terms of the structure of these complexes, what is intriguing is that the acetate groups link two Lniii ions, whereas the cadmium ions do not coordinate. Lanthanide-based luminescence is exhibited by complex 1, which exists in both the solid state and a methanol solution. Through magnetic analysis, it is found that a field-induced single-molecule magnet behaviour is exhibited by complex 3, and the energy barrier is shown to be Ueff=45.97K.

Difference Fourier Analysis of Glucose Embedded and Frozen Hydrated Purple Membrane

1982 ◽  
Vol 40 ◽  
pp. 74-75
Author(s):  
Jules S. Jaffe ◽  
Robert M. Glaeser
Keyword(s):  
Purple Membrane ◽  
Data Set ◽  
High Resolution Data ◽  
X Ray ◽  
X Ray Crystallography ◽  
Fourier Techniques ◽  
Versus Protein ◽  
The Difference ◽  
Difference Fourier ◽  
Ideal Method

Although difference Fourier techniques are standard in X-ray crystallography it has only been very recently that electron crystallographers have been able to take advantage of this method. We have combined a high resolution data set for frozen glucose embedded Purple Membrane (PM) with a data set collected from PM prepared in the frozen hydrated state in order to visualize any differences in structure due to the different methods of preparation. The increased contrast between protein-ice versus protein-glucose may prove to be an advantage of the frozen hydrated technique for visualizing those parts of bacteriorhodopsin that are embedded in glucose. In addition, surface groups of the protein may be disordered in glucose and ordered in the frozen state. The sensitivity of the difference Fourier technique to small changes in structure provides an ideal method for testing this hypothesis.

3-D reconstruction of molecular shape from microcrystal thin sections

1983 ◽  
Vol 41 ◽  
pp. 748-749
Author(s):  
S. Cusack ◽  
J.-C. Jésior
Keyword(s):  
Three Dimensional ◽  
Molecular Shape ◽  
Biological Molecules ◽  
Fourier Space ◽  
Single Particles ◽  
Thin Sections ◽  
Standard Methods ◽  
X Ray ◽  
X Ray Crystallography ◽  
Dimensional Reconstruction

Three-dimensional reconstruction techniques using electron microscopy have been principally developed for application to 2-D arrays (i.e. monolayers) of biological molecules and symmetrical single particles (e.g. helical viruses). However many biological molecules that crystallise form multilayered microcrystals which are unsuitable for study by either the standard methods of 3-D reconstruction or, because of their size, by X-ray crystallography. The grid sectioning technique enables a number of different projections of such microcrystals to be obtained in well defined directions (e.g. parallel to crystal axes) and poses the problem of how best these projections can be used to reconstruct the packing and shape of the molecules forming the microcrystal.Given sufficient projections there may be enough information to do a crystallographic reconstruction in Fourier space. We however have considered the situation where only a limited number of projections are available, as for example in the case of catalase platelets where three orthogonal and two diagonal projections have been obtained (Fig. 1).

Electron microscopy of rabbit FC crystals

1983 ◽  
Vol 41 ◽  
pp. 730-731
Author(s):  
Robert A. Grant ◽  
Laura L. Degn ◽  
Wah Chiu ◽  
John Robinson
Keyword(s):  
Electron Microscopy ◽  
High Resolution ◽  
High Resolution Electron Microscopy ◽  
Molecular Replacement ◽  
X Ray ◽  
X Ray Crystallography ◽  
Resolution Electron ◽  
Replacement Technique ◽  
Hydrated Crystal ◽  
Molecular Structure Analysis

Proteolytic digestion of the immunoglobulin IgG with papain cleaves the molecule into an antigen binding fragment, Fab, and a compliment binding fragment, Fc. Structures of intact immunoglobulin, Fab and Fc from various sources have been solved by X-ray crystallography. Rabbit Fc can be crystallized as thin platelets suitable for high resolution electron microscopy. The structure of rabbit Fc can be expected to be similar to the known structure of human Fc, making it an ideal specimen for comparing the X-ray and electron crystallographic techniques and for the application of the molecular replacement technique to electron crystallography. Thin protein crystals embedded in ice diffract to high resolution. A low resolution image of a frozen, hydrated crystal can be expected to have a better contrast than a glucose embedded crystal due to the larger density difference between protein and ice compared to protein and glucose. For these reasons we are using an ice embedding technique to prepare the rabbit Fc crystals for molecular structure analysis by electron microscopy.

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