scholarly journals Tuning the Linear and Nonlinear Optical Properties of Pyrene-Pyridine Chromophores by Protonation and Complexation to d10 Metal Centers †

Inorganics ◽  
2019 ◽  
Vol 7 (3) ◽  
pp. 38 ◽  
Author(s):  
Elena Lucenti ◽  
Alessandra Forni ◽  
Daniele Marinotto ◽  
Andrea Previtali ◽  
Stefania Righetto ◽  
...  
Keyword(s):  
Nonlinear Optical ◽  
Second Harmonic ◽  
Protonated Form ◽  
Lewis Acidity ◽  
X Ray Diffraction ◽  
Metal Centers ◽  
X Ray ◽  
Nlo Response ◽  
D10 Metal ◽  
Simple Exposure

The linear and second-order nonlinear optical (NLO) properties of two pyrene-pyridine chromophores, namely, 4-(pyren-1-yl)pyridine (L1) and 4-(2-(pyren-1-yl)ethyl)pyridine (L2), were investigated and modulated by performing protonation/deprotonation cycles or by complexation to d10 metal centers such as Zn(II) and Cu(I) to form the monomeric [Zn(CH3CO2)2(L1)2] complex and the [CuI(L2)]n coordination polymer, respectively. The structures of L1, L2, [Zn(CH3CO2)2(L1)2] and [CuI(L2)]n were determined by means of single-crystal X-ray diffraction studies. The NLO response, measured by the electric-field-induced second harmonic generation (EFISH) technique, was positive for both chromophores and showed an inversion of the sign after exposure to HCl vapors. This process was completely reversible and the original values were restored by simple exposure to NH3 vapors. Coordination of L1 to Zn(II) also resulted in a negative NLO response, although smaller in magnitude compared to the protonated form, due to the weak Lewis acidity of the “Zn(CH3CO2)2” fragment. The results were also interpreted on the basis of DFT/TDDFT calculations.

scholarly journals Crystal Structure of L-Histidinium 2-Nitrobenzoate

2012 ◽  
Vol 2012 ◽  
pp. 1-6 ◽  
Author(s):  
Subramanian Natarajan ◽  
Kalimuthu Moovendaran ◽  
Jeyaperumal Kalyana Sundar ◽  
Krishnan Ravikumar
Keyword(s):  
Molecular Structure ◽  
Crystal Structure ◽  
Nonlinear Optical ◽  
Second Harmonic ◽  
Potassium Dihydrogen Phosphate ◽  
Dihydrogen Phosphate ◽  
X Ray Diffraction ◽  
Potassium Dihydrogen ◽  
X Ray ◽  
Shg Efficiency

A new nonlinear optical organic compound, namely, L-histidinium 2-nitrobenzoate (abbreviated as LH2NB (I); ([C6H10N3O2]+ [C7H4NO4]−)), was synthesized. The molecular structure of LH2NB (I) was elucidated using single crystal X-ray diffraction technique. The second harmonic generation (SHG) efficiency of this compound is about two times that of the standard potassium dihydrogen phosphate crystals.

scholarly journals Growth, structural and optical properties of novel nonlinear optical potassium phthalate di lithium borate (KPDLiB) single crystals

2020 ◽  
Vol 38 (2) ◽  
pp. 214-218
Author(s):  
K. Mohanraj ◽  
D. Balasubramanian ◽  
N. Jhansi
Keyword(s):  
Single Crystals ◽  
Nonlinear Optical ◽  
Second Harmonic ◽  
Visible Region ◽  
Fluorescence Emission ◽  
Lithium Borate ◽  
X Ray Diffraction ◽  
Second Harmonic Generation Efficiency ◽  
X Ray ◽  
Evaporation Technique

AbstractNovel nonlinear optical semi-organic, potassium phthalate di lithium borate (KPDLiB) single crystals were successfully grown by the slow solvent evaporation technique. Good crystalline nature and an orthorhombic structure were confirmed by powder X-ray diffraction and single crystal X-ray diffraction studies. The functional groups of KPDLiB were identified using FT-IR spectrum recorded in the range of 4000 cm−1 to 450 cm−1. UV-Vis spectrum showed transmitting ability of the crystals in the entire visible region. The photoluminescence spectrum exhibited good fluorescence emission in a visible region at 384 nm, 416 nm and 578 nm. The second harmonic generation efficiency of the grown crystal was evaluated from Kurtz powder technique.

Assembly of 1,2,3,4-Benzenetetracarboxylic Acid and Zinc(II) Metal Centers to a Chiral 3D Metal-organic Framework: Syntheses, Structure and Properties

2011 ◽  
Vol 66 (5) ◽  
pp. 533-537
Author(s):  
Can Ji ◽  
Shuang-Quan Zang ◽  
Jun-Yi Liu ◽  
Jia-Bin Li ◽  
Hong-Wei Hou
Keyword(s):  
Second Harmonic ◽  
Bulk Material ◽  
Metal Organic Framework ◽  
Three Dimensional ◽  
X Ray Diffraction ◽  
Metal Centers ◽  
X Ray ◽  
Metal Organic ◽  
The Individual ◽  
Organic Framework

A new three-dimensional metal-organic framework {[Zn(mpda)0.5(bix)]·(H2O)1.5}n (1) (H4mpda = 1,2,3,4-benzenetetracarboxylic acid, m-bix = 1,3-bis(imidazol-1-ylmethyl)-benzene) has been synthesized and characterized by single-crystal X-ray diffraction and IR spectra. In 1, homochiral helical chains are formed in the Zn-mpda layer through spontaneous resolution by mpda4−. Such layers are further connected through the second m-bix ligand to form a 3D chiral metal-organic framework. The individual (4,4)-connected net in 1 can be specified by the Schläfli symbol (66)2(64.82). Bulk material of 1 has good second-harmonic generation (SHG) activity, approximately 0.4 times that of urea. In addition, a thermogravimetric analysis was carried out, and the photoluminescent behavior of the complex was also investigated

Physical and optical study of potassium-doped meta-Nitroaniline crystal (mNAK)

2014 ◽  
Vol 23 (01) ◽  
pp. 1450012 ◽  
Author(s):  
T. Thilak ◽  
M. Basheer Ahamed ◽  
P. Murugakoothan
Keyword(s):  
Optical Properties ◽  
Nonlinear Optical ◽  
Second Harmonic ◽  
Thermo Gravimetric Analysis ◽  
Gravimetric Analysis ◽  
X Ray Diffraction ◽  
Infrared Study ◽  
Second Harmonic Generation Efficiency ◽  
X Ray ◽  
Single Beam

A nonlinear optical crystal of potassium-doped meta-Nitroaniline (mNAK) was grown by slow evaporation method using methanol as solvent. The growth mechanism was understood by chemical etching studies. The presence of potassium in the crystal was identified by energy-dispersive X-ray diffraction. Lattice parameters for the title crystal were determined by single-crystal X-ray diffraction and powder X-ray diffraction techniques, and the functional groups in the crystal were revealed by Fourier transform infrared study. Optical properties of the crystal were evaluated by UV-Vis-NIR transmission and absorption spectra in the range of 200–1000 nm. Thermal stability of the crystal was studied by thermo gravimetric analysis and differential thermal analysis. Mechanical properties of the crystal were analyzed using Vicker's microhardness technique. Second harmonic generation efficiency of the crystal was examined using pulsed Nd :YAG laser. Finally, the third-order nonlinear optical properties of the crystal were measured using single-beam Z-scan technique.

scholarly journals Pyrene Carboxylate Ligand Based Coordination Polymers for Microwave-Assisted Solvent-Free Cyanosilylation of Aldehydes

Molecules ◽  
2021 ◽  
Vol 26 (4) ◽  
pp. 1101
Author(s):  
Anirban Karmakar ◽  
Anup Paul ◽  
Elia Pantanetti Sabatini ◽  
M. Fátima C. Guedes da Silva ◽  
Armando J. L. Pombeiro
Keyword(s):  
Coordination Polymer ◽  
Single Crystal ◽  
Coordination Polymers ◽  
Metal Ion ◽  
Solvent Free ◽  
Lewis Acidity ◽  
Carboxylate Ligand ◽  
X Ray Diffraction ◽  
X Ray ◽  
Microwave Assisted

The new coordination polymers (CPs) [Zn(μ-1κO1:1κO2-L)(H2O)2]n·n(H2O) (1) and [Cd(μ4-1κO1O2:2κN:3,4κO3-L)(H2O)]n·n(H2O) (2) are reported, being prepared by the solvothermal reactions of 5-{(pyren-4-ylmethyl)amino}isophthalic acid (H2L) with Zn(NO3)2.6H2O or Cd(NO3)2.4H2O, respectively. They were synthesized in a basic ethanolic medium or a DMF:H2O mixture, respectively. These compounds were characterized by single-crystal X-ray diffraction, FTIR spectroscopy, thermogravimetric and elemental analysis. The single-crystal X-ray diffraction analysis revealed that compound 1 is a one dimensional linear coordination polymer, whereas 2 presents a two dimensional network. In both compounds, the coordinating ligand (L2−) is twisted due to the rotation of the pyrene ring around the CH2-NH bond. In compound 1, the Zn(II) metal ion has a tetrahedral geometry, whereas, in 2, the dinuclear [Cd2(COO)2] moiety acts as a secondary building unit and the Cd(II) ion possesses a distorted octahedral geometry. Recently, several CPs have been explored for the cyanosilylation reaction under conventional conditions, but microwave-assisted cyanosilylation of aldehydes catalyzed by CPs has not yet been well studied. Thus, we have tested the solvent-free microwave-assisted cyanosilylation reactions of different aldehydes, with trimethylsilyl cyanide, using our synthesized compounds, which behave as highly active heterogeneous catalysts. The coordination polymer 1 is more effective than 2, conceivably due to the higher Lewis acidity of the Zn(II) than the Cd(II) center and to a higher accessibility of the metal centers in the former framework. We have also checked the heterogeneity and recyclability of these coordination polymers, showing that they remain active at least after four recyclings.

scholarly journals X-ray diffraction analysis of matter taking into account the second harmonic in the scattering of powerful ultrashort pulses of an electromagnetic field

2021 ◽  
Vol 11 (1) ◽  
Author(s):  
M. K. Eseev ◽  
A. A. Goshev ◽  
K. A. Makarova ◽  
D. N. Makarov
Keyword(s):  
Electromagnetic Field ◽  
Diffraction Analysis ◽  
Diffraction Pattern ◽  
Second Harmonic ◽  
Ultrashort Pulses ◽  
X Ray Diffraction ◽  
X Ray ◽  
Scattering Spectra ◽  
Technical Possibility ◽  
2D And 3D

AbstractIt is well known that the scattering of ultrashort pulses (USPs) of an electromagnetic field in the X-ray frequency range can be used in diffraction analysis. When such USPs are scattered by various polyatomic objects, a diffraction pattern appears from which the structure of the object can be determined. Today, there is a technical possibility of creating powerful USP sources and the analysis of the scattering spectra of such pulses is a high-precision instrument for studying the structure of matter. As a rule, such scattering occurs at a frequency close to the carrier frequency of the incident USP. In this work, it is shown that for high-power USPs, where the magnetic component of USPs cannot be neglected, scattering at the second harmonic appears. The scattering of USPs by the second harmonic has a characteristic diffraction pattern which can be used to judge the structure of the scattering object; combining the scattering spectra at the first and second harmonics therefore greatly enhances the diffraction analysis of matter. Scattering spectra at the first and second harmonics are shown for various polyatomic objects: examples considered are 2D and 3D materials such as graphene, carbon nanotubes, and hybrid structures consisting of nanotubes. The theory developed in this work can be applied to various multivolume objects and is quite simple for X-ray structural analysis, because it is based on analytical expressions.

Influence of 3-{5-[4-(diethylamino)benzylidene]rhodanine}propionic acid on the conformation of 5-(4-chlorobenzylidene)-2-(4-methylpiperazin-1-yl)-3H-imidazol-4(5H)-one

2018 ◽  
Vol 74 (11) ◽  
pp. 1427-1433 ◽  
Author(s):  
Ewa Żesławska ◽  
Wojciech Nitek ◽  
Waldemar Tejchman ◽  
Jadwiga Handzlik
Keyword(s):  
Crystal Structures ◽  
Crystal Packing ◽  
Protonated Form ◽  
Acid Form ◽  
Asymmetric Unit ◽  
X Ray Diffraction ◽  
Basic Form ◽  
Piperazine Ring ◽  
X Ray ◽  
Intermolecular Contacts

The arylidene–imidazolone derivatives are a group of compounds of great interest in medicinal chemistry due to their various pharmacological actions. In order to study the possible conformations of an arylidene–imidazolone derivative, two new crystal structures were determined by X-ray diffraction, namely (Z)-5-(4-chlorobenzylidene)-2-(4-methylpiperazin-1-yl)-3H-imidazol-5(4H)-one, C15H17ClN4O, (6), and its salt 4-[5-(4-chlorobenzylidene)-5-oxo-4,5-dihydro-3H-imidazol-2-yl]-1-methylpiperazin-1-ium 3-{5-[4-(diethylamino)benzylidene]-4-oxo-2-thioxothiazolidin-3-yl}propionate, C15H18ClN4O+·C17H19N2O3S2 −, (7). Both compounds crystallize in the space group P\overline{1}. The basic form (6) crystallizes with two molecules in the asymmetric unit. In the acid form of (6), the N atom of the piperazine ring is protonated by proton transfer from the carboxyl group of the rhodanine acid derivative. The greatest difference in the conformations of (6) and its protonated form, (6c), is observed in the location of the arylidene–imidazolone substituent at the N atom. In the case of (6c), the position of this substituent is close to axial, while for (6), the corresponding position is intermediate between equatorial and axial. The crystal packing is dominated by a network of N—H...O hydrogen bonds. Furthermore, the crystal structures are stabilized by numerous intermolecular contacts of types C—H...N and C—H...Cl in (6), and C—H...O and C—H...S in (7). The geometry with respect to the location of the substituents at the N atoms of the piperazine ring was compared with other crystal structures possessing an N-methylpiperazine moiety.

Synthesis, Growth and Characterization of Organic Nonlinear Optical L-Asparagine L-Tartrate Single Crystals

2012 ◽  
Vol 584 ◽  
pp. 13-17 ◽  
Author(s):  
G. Peramaiyan ◽  
P. Pandi ◽  
B.M. Sornamurthy ◽  
R. Mohan Kumar
Keyword(s):  
Nonlinear Optical ◽  
Grown Crystal ◽  
Second Harmonic ◽  
Bulk Single Crystal ◽  
X Ray Diffraction ◽  
Ftir Studies ◽  
Slow Evaporation Technique ◽  
Evaporation Technique ◽  
Generation Test

L-asparagine L-tartrate (LAT), an organic compound has been synthesized from aqueous solution and bulk single crystal has been grown by slow evaporation technique. Powder X-ray diffraction studies confirmed the monoclinic structure of the grown LAT crystal. The presence of functional groups of the grown crystal was identified by FTIR studies. Linear optical property of the grown crystal was studied by UV-Vis spectral analysis. Microhardness studies reveal that the crystal possesses relatively higher hardness compared to other organic nonlinear optical crystals. Dielectric response of the L-asparagine L-tartrate crystal was analyzed for different frequencies at various temperatures. Kurtz-Perry powder second harmonic generation test confirmed the nonlinear optical properties of the as-grown LAT crystal.

OPTICAL AND STRUCTURAL PROPERTIES OF SILVER NANOPARTICLES EMBEDDED IN INDIUM OXIDE FILMS

2011 ◽  
Vol 10 (03) ◽  
pp. 433-440 ◽  
Author(s):  
A. A. DAKHEL ◽  
F. Z. HENARI
Keyword(s):  
Indium Oxide ◽  
Nonlinear Optical ◽  
Silicon Substrates ◽  
X Ray Diffraction ◽  
Third Order ◽  
X Ray ◽  
Reverse Saturation Absorption ◽  
Saturation Absorption ◽  
Order Susceptibility ◽  
Nanoparticles Of Silver

Nanoparticles of silver-embedded indium oxide thin films have been prepared on glass and silicon substrates. Silver concentration were 3 wt.% and 5 wt.% as measured by X-ray fluorescence. X-ray diffraction reveals that indium oxide of these samples remains amorphous even after pre-annealing at 400°C. The optical absorption of the samples manifests the surface plasmon resonance (SPR) phenomena, which varies with Ag content. The Ag nanoparticles radius was estimated with Mie classical theory by using the SPR data analysis. The nonlinear optical properties of films on glass substrate were investigated using z-scan technique. Under cw excitation the films exhibit large reverse saturation absorption and negative nonlinearities. The real and imaginary parts of third order susceptibility of the samples were measured and the imaginary part which arise from the change in absorption is found to be dominant.

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