scholarly journals Second Order Nonlinear Optical Properties of 4-Styrylpyridines Axially Coordinated to A4 ZnII Porphyrins: A Comparative Experimental and Theoretical Investigation

Inorganics ◽  
2020 ◽  
Vol 8 (8) ◽  
pp. 45
Author(s):  
Francesca Tessore ◽  
Gabriele Di Carlo ◽  
Alessandra Forni ◽  
Stefania Righetto ◽  
Francesca Limosani ◽  
...  
Keyword(s):  
Electric Field ◽  
Second Harmonic Generation ◽  
Harmonic Generation ◽  
Density Functional ◽  
Nonlinear Optical ◽  
Second Harmonic ◽  
Second Order ◽  
Strong Electron ◽  
Meso Position ◽  
L1 And L2

In this research, two 4-styrylpyridines carrying an acceptor –NO2 (L1) or a donor –NMe2 group (L2) were axially coordinated to A4 ZnII porphyrins displaying in 5,10,15,20 meso position aryl moieties with remarkable electron withdrawing properties (pentafluorophenyl (TFP)), and with moderate to strong electron donor properties (phenyl (TPP) < 3,5-di-tert-butylphenyl (TBP) < bis(4-tert-butylphenyl)aniline) (TNP)). The second order nonlinear optical (NLO) properties of the resulting complexes were measured in CHCl3 solution by the Electric-Field-Induced Second Harmonic generation technique, and the quadratic hyperpolarizabilities βλ were compared to the Density Functional Theory (DFT)-calculated scalar quantities β||. Our combined experimental and theoretical approach shows that different interactions are involved in the NLO response of L1- and L2-substituted A4 ZnII porphyrins, suggesting a role of backdonation-type mechanisms in the determination of the negative sign of Electric-Field-Induced Second Harmonic generation (EFISH) βλ, and a not negligible third order contribution for L1-carrying complexes.

THE INVESTIGATION OF SECOND-ORDER NONLINEAR OPTICAL PROPERTIES OF P-NITROPHENYLAZOANILINE: SECOND HARMONIC GENERATION AND AB INITIO COMPUTATIONS

2012 ◽  
Vol 11 (01) ◽  
pp. 209-221 ◽  
Author(s):  
ASLI KARAKAŞ ◽  
ZİYA ERDEM KOÇ ◽  
MICHAELA FRIDRICHOVÁ ◽  
PETR NĚMEC ◽  
JAN KROUPA
Keyword(s):  
Second Harmonic Generation ◽  
Harmonic Generation ◽  
Density Functional ◽  
Nonlinear Optical ◽  
Second Harmonic ◽  
Second Order ◽  
Photon Absorption ◽  
Nlo Properties ◽  
Hartree Fock ◽  
H Nmr

p-nitrophenylazoaniline (1) belongs to the family of compounds with conjugated bonds and delocalized π-electrons, structurally similar to the well known push-pull compound Disperse Red 1 (DR1).1 Due to the assembly of the molecule, nonlinear optical (NLO) properties are expectable and can be more or less accurately predicted. To estimate the potential for second-order NLO properties, the electric dipole moment (μ), dispersion-free dipole polarizabilities (α) and first hyperpolarizabilities (β) have been determined by density functional theory (DFT) quantum chemical calculations at B3LYP/ 6-311 + G(d, p) level. According to the computation results, the synthesized compound exhibits non-zero β values and it might have second-order NLO behavior. Title compound has been synthesized and characterized by FT-IR, 1H-NMR and UV-Vis spectroscopies. The maximum one-photon absorption (OPA) wavelengths were estimated to be shorter than 450 nm by quantum mechanical computations using the configuration interaction (CI) method. The same result was achieved by UV-Vis spectra measurements, whereas the compound exhibited good optical transparency to the visible light. Quantitative measurements of second harmonic generation (SHG) at 800 nm and 1064 nm have been performed. The relative efficiency comparable with that of KDP (kalium diphosphate) has been observed with the exciting wavelength of 1064 nm, while the other wavelength led to strong absorption of produced light by the sample. In the following more detailed study on frequency-dependent first hyperpolarizabilities using time-dependent Hartree–Fock (TDHF) method have been computed at the wavelengths used in SHG measurements.

Second harmonic generation of a series of axially substituted titanium(IV) and gallium(III) tetra-tert-butylphthalocyanines

2003 ◽  
Vol 07 (04) ◽  
pp. 291-295 ◽  
Author(s):  
Christian G. Claessens ◽  
Andreas Gouloumis ◽  
Markus Barthel ◽  
Yu Chen ◽  
Guillermo Martin ◽  
...  
Keyword(s):  
Optical Properties ◽  
Electric Field ◽  
Second Harmonic Generation ◽  
Harmonic Generation ◽  
Nonlinear Optical ◽  
Second Harmonic ◽  
Second Order ◽  
Nonlinear Optical Properties ◽  
Phthalocyanine Ring

Electric Field Induced Second-Harmonic (EFISH) Generation and Hyper Raleigh Scattering (HRS) measurements were performed on a representative series of axially substituted titanium(IV) and gallium(III) tetra-tert-butylphthalocyanines. The comparison of γEFISH and βHRS values within the series and in particular in the case of the dimeric species shows the influence of both the reduction of symmetry of the phthalocyanine ring and the intramolecular stacking on the second order nonlinear optical properties.

SECOND ORDER NONLINEAR OPTICAL PROPERTIES IN SILICA-BASED GLASS FILM WAVEGUIDES

1996 ◽  
Vol 05 (02) ◽  
pp. 189-204 ◽  
Author(s):  
S. HORINOUCHI ◽  
H. IMAI ◽  
H. YAMASAKI ◽  
K. FUKAO ◽  
G.J. ZHANG ◽  
...  
Keyword(s):  
Second Harmonic Generation ◽  
Harmonic Generation ◽  
Nonlinear Optical ◽  
Glass Composition ◽  
Second Harmonic ◽  
Optical Nonlinearity ◽  
Second Order ◽  
Time Dependent ◽  
Glass Film ◽  
Second Order Nonlinearity

Phase-matched blue second harmonic generation was observed in a corona-poled Corning 7059 glass film waveguide. The induced quadratic optical nonlinearity was examined by second harmonic generation with a time dependent decay for multi-complex of SiO 2, BaO,B 2 O 3 and/or Al 2 O 3. Glass films with every possible combination of composition were fabricated and examined, The glass composition of SiO 2- BaO-B 2 O 3 and/or SiO 2- BaO-Al 2 O 3 was found to play effective roles in maintaining the induced second order nonlinearity for a longer period of time. This is supposed to be related to distributed traps which come from complex of the glass components.

scholarly journals Second Harmonic Generation in Lithiated Silicon Nanowires: Derivations and Computational Methods

2021 ◽  
Vol 3 (6) ◽  
pp. 36-46
Author(s):  
Donald C. Boone
Keyword(s):  
Second Harmonic Generation ◽  
Computational Methods ◽  
Harmonic Generation ◽  
Silicon Nanowires ◽  
Nonlinear Optical ◽  
Second Harmonic ◽  
Second Order ◽  
Lithium Ions ◽  
Optical Process ◽  
Nonlinear Optical Process

This research will examine the computational methods to calculate the nonlinear optical process of second harmonic generation (SHG) that will be hypothesized to be present during lithium ion insertion into silicon nanowires. First it will be determined whether the medium in which SHG is conveyed is non-centrosymmetric or whether the medium is inversion symmetric where SHG as a part of the second-order nonlinear optical phenomenon does not exist. It will be demonstrated that the main interaction that determines SHG is multiphoton absorption on lithium ions. The quantum harmonic oscillator (QHO) is used as the background that generates coherent states for electrons and photons that transverse the length of the silicon nanowire. The matrix elements of the Hamiltonian which represents the energy of the system will be used to calculate the probability density of second-order nonlinear optical interactions which includes collectively SHG, sum-frequency generation (SFG) and difference-frequency generation (DFG). As a result, it will be seen that at varies concentrations of lithium ions (Li+) within the crystallized silicon (c-Si) matrix the second-order nonlinear optical process has probabilities substantial enough to create second harmonic generation that could possibly be used for such applications as second harmonic imaging microscopy.

Moving media: Second harmonic generation investigation

2016 ◽  
Vol 30 (22) ◽  
pp. 1650138
Author(s):  
Mahboubeh Ghalandari
Keyword(s):  
Electric Field ◽  
Second Harmonic Generation ◽  
Harmonic Generation ◽  
Second Harmonic ◽  
Second Order ◽  
Phase Matching ◽  
Nonlinear Media ◽  
Quasi Phase Matching ◽  
Moving Media ◽  
Order Susceptibility

Because of the importance of second harmonic generation (SHG) in some nonlinear media, in this paper, we investigated induced SHG in diamond where there is no intrinsic second-order susceptibility, [Formula: see text]. The electric field is proposed to introduce moving susceptibility of the second-order and induce second harmonic generation. Then, spatiotemporal quasi-phase matching (QPM) is applied to optimize the induced SHG. Numerical results reveal that in this way, the induced second harmonic is found at the frequency of [Formula: see text] rather than [Formula: see text].

First-Principles Calculations of Nonlinear Optical Response Functions in Semiconductors

1999 ◽  
Vol 579 ◽  
Author(s):  
Sergey N. Rashkeev ◽  
Walter R. L. Lambrecht
Keyword(s):  
Crystal Structure ◽  
Second Harmonic Generation ◽  
Harmonic Generation ◽  
First Principles ◽  
Nonlinear Optical ◽  
Second Harmonic ◽  
Second Order ◽  
Response Functions ◽  
First Principles Calculations ◽  
Lmto Method

ABSTRACTWe present our implementation of the length-gauge formalism of Sipe and coworkers (Phys. Rev. B 48, 11705 (1993); ibid 52, 14636 (1995)) using the linearized muffin-tin orbital (LMTO) method and discuss its application to the calculation of second order response functions. The importance of gap corrections beyond LDA is discussed. As primary application, we discuss the second harmonic generation (SHG) coefficients of the SiC polytypes and of the chalcopyrites of both the II-IV-V2 and I-III-VI2 families. These examples illustrate the relation of the second order response function to the modification of the crystal structure and chemical substitutions.

A THEORETICAL STUDY ON SECOND HARMONIC GENERATION HYPERPOLARIZABILITIES OF PHENYLALANINE POLYPEPTIDES

2013 ◽  
Vol 12 (02) ◽  
pp. 1250118 ◽  
Author(s):  
JING WEI ◽  
JIN-YUN WANG ◽  
MIN-YI ZHANG ◽  
GUO-LIANG CHAI ◽  
CHEN-SHENG LIN ◽  
...  
Keyword(s):  
Second Harmonic Generation ◽  
Harmonic Generation ◽  
Nonlinear Optical ◽  
Theoretical Study ◽  
Second Harmonic ◽  
Protein Secondary Structure ◽  
Second Order ◽  
Propagation Direction ◽  
Energy Gaps ◽  
Β Sheet

The second harmonic generation (SHG) hyperpolarizabilities of phenylalanine and homopolypeptides are investigated by configuration interaction among singly excited configurations (CIS) technique combined with the sum-over-states (SOS) method. The geometries of peptides containing phenylalanine ( Phe )n(n = 1–8) are optimized by B3LYP/6-31g(d) method, and they form the special structures like β-sheet (a common protein secondary structure). It is found that the energy gaps of various peptides are reduced and the hyperpolarizabilities are increased with the peptide chains lengthened. We discuss the origin of the second-order nonlinear optical response in phenylalanine homopolypeptides and confirm that the π → π* transitions in the aromatic residue of phenylalanine make the most important contributions to the second-order polarizability. Our results strongly suggest that the hyperpolarizabilities are dominated from the propagation direction of peptide chains.

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