Shift Of Absorption Maximum Research Articles

Synthesis and Optical Properties of the New Kaede Chromophore Analog

A novel derivative of Kaede protein chromophore was synthesized. The compound showed the shift of absorption and emission maxima to the longwave region in comparison with the classical Kaede chromophore analog due to an increase in the conjugated π-system in the imidazolone fragment.

A survey on the characterization and biological activity of isatin derivatives

The derivatives of isatin have already been known to display a variety of biological activities. Therefore, the studies on their activity and its relation to structure have recently become a popular subject for investigation. The examined compounds were synthesized by the reaction of isatin and substituted primary amines and characterized by spectroscopic methods. The investigation of the antimicrobial and antioxidative activity of the synthesized compounds was performed by broth microdilution method. As for the characterization of the investigated isatin based Schiff bases, the linear solvation energy relationships (LSER) were used to analyze the solvent influence on the UV absorption maxima shifts (?max), using the well known Kamlet?Taft model and taking geometrical isomers into consideration when possible. Linear free energy relationships (LFER) were used to analyze substituent effect on pKa, as well as NMR chemical shifts and ?max values. The antimicrobial activity and characterization were related using both experimental and theoretical methods.

Stimuli responsive microgel containing silver nanoparticles with tunable optical and catalytic properties

Abstract In this work, poly (vinylcaprolactam-co-itaconic acid) microgel was prepared by free radical polymerization. Silver nanoparticles were prepared in synthesized microgel networks by in situ reduction of Ag+ ions, loaded in microgel from aqueous solution of AgNO3. The prepared microgel was characterized by Fourier transformation infra-red spectroscopy, UV-Visible spectroscopy, fluorescence spectroscopy, X-ray diffraction, laser light scattering, thermal gravimetric analysis, differential scanning calorimetry and transmission electron microscopy. Swelling behavior of microgel was studied as a function of temperature and pH. The microgel was found to be in swollen state at low temperature and basic medium while in collapsed state at high temperature and acidic medium. A slight decrease in swelling capacity of microgel was observed after the fabrication of silver nanoparticles. A decrease in the emission intensity and a red shift in surface plasmon resonance wavelength of silver nanoparticles was observed with pH induced swelling of microgel. Catalytic activity of the composite microgel was studied by using them as catalyst for the reduction of 4-nitrophenol, methyl orange and methylene blue. Effects of temperature and catalyst dose were also investigated. The reduction rates of 4-NP, MB and MO were found to be 0.859, 0.0528 and 0.167 min−1, respectively. The change in catalytic performance and shift in absorption maxima and emission intensity of composite microgel as a function of temperature and pH reveals that this system has potential to be used as tunable catalyst and optical sensor.

Theoretical Investigation of Optical and Nonlinear Optical (NLO) Properties of 3‐Azabenzanthrone Analogues : DFT and TD‐DFT Approach.

Abstract3‐Azabenzanthrone based chromophores are investigated to study the effect of different substituents on optical and “non‐linear optical (NLO)” properties by means of density functional theory (DFT) with global hybrid functionals (GHs) ‐ B3LYP and BHandHLYP, range separated hybrid functionals (RSHs) CAM−B3LYP, wB97, wB97X, wB97XD and the basis sets 6–31+G(d), cc‐pVDZ, and cc‐pVTZ. It is observed that the incorporation of an electron withdrawing group at the 1 position and an electron donating group at the 2 and 6 positions of 3‐azabenzanthrone system led to more red shifted absorption maxima and showed better NLO response. Molecule 3 with electron withdrawing ‐CN at the 1 position exhibited the highest absorption wavelength (λ= 590 nm). The geometries, dipole moments, HOMO‐LUMO energy gaps, total hyperpolarizability are calculated to investigate the effect of different substituents on the photophysical and NLO properties of 3‐azabenzanthrone based chromophores. The insertion of ‐CN group at the 1 position of 3‐azabenzanthrone system resulted in higher first order hyperpolarizability (β0). The β0 values of 3, 5, 6 and 12 are found to be the maximum among other remaining molecules as the “Bond Length Alternation (BLA)” and “Bond Order Alternation (BOA)” parameters tend to zero. The charge transfer (CT) properties of these analogues are established using molecular electrostatic potential (MEP) analysis and quinoidal character at the same level of theory.

Biphenyl‐Amine‐Based D‐π‐A’‐π‐A Sensitizers for DSSCs: Comparative Photo‐Conversion Efficiency in Iodide/triiodide and Cobalt‐Based Redox Electrolyte and DFT Study

AbstractWe have designed and synthesized two dye molecules viz. MMR1 ((E)‐2‐cyano‐3‐(5‐((E)‐1‐cyano‐2‐(4′‐(dimethylamino)‐[1,1′‐biphenyl]‐4‐yl)vinyl)thiophen‐2‐yl)acrylic acid) and MMR2 (2‐((Z)‐5‐((5‐((E)‐1‐cyano‐2‐(4′‐(dimethylamino)‐[1,1′‐biphenyl]‐4‐yl)vinyl)thiophen‐2‐yl)methylene)‐4‐oxo‐2‐thioxothiazolidin‐3‐yl)acetic acid) with D‐π‐A’‐π‐A frameworks. The synthesized interfacial modifiers have dimethyl aniline as the donor group whereas cyanoacetic acid and rhodanine‐3‐acetic acid as the major acceptor groups in MMR1 and MMR2 respectively. The photophysical study in solution medium shows red shifted absorption maxima (λmax) for MMR2 vs MMR1. However, the molar extinction coefficient (ϵmax) for MMR2 is found to be lower than MMR1. The photovoltaic characterization of these molecules was carried out using iodide/triiodide and cobalt (II/III) based redox electrolytes for comparision. The molecules showed improved efficiency with the cobalt based electrolytes where MMR1 showed the highest power conversion efficiency (PCE) of 3.25% (Jsc=7.28 mA/cm2, Voc=0.713 V, FF=0.63). Further to have a deep insight into these synthesized molecules DFT studies were performed. The polarizability and hyperpolarizability values for the interfacial modifiers are calculated using DFT computation and are found to be correlated to the PCE.

Design of an Ultrafast G Protein Switch Based on a Mouse Melanopsin Variant.

The primary goal of optogenetics is the light-controlled noninvasive and specific manipulation of various cellular processes. Herein, we present a hybrid strategy for targeted protein engineering combining computational techniques with electrophysiological and UV/visible spectroscopic experiments. We validated our concept for channelrhodopsin-2 and applied it to modify the less-well-studied vertebrate opsin melanopsin. Melanopsin is a promising optogenetic tool that functions as a selective molecular light switch for G protein-coupled receptor pathways. Thus, we constructed a model of the melanopsin Gq protein complex and predicted an absorption maximum shift of the Y211F variant. This variant displays a narrow blue-shifted action spectrum and twofold faster deactivation kinetics compared to wild-type melanopsin on G protein-coupled inward rectifying K+ (GIRK) channels in HEK293 cells. Furthermore, we verified the in vivo activity and optogenetic potential for the variant in mice. Thus, we propose that our developed concept will be generally applicable to designing optogenetic tools.

Observation of an Inversion in Photophysical Tuning in a Systematic Study of Luminescent Triazole-Based Osmium(II) Complexes.

In a systematic survey of luminescent bis(terdentate) osmium(II) complexes, a tipping point involving a reversal in photophysical tuning is observed whereby increasing stabilization of the ligand-based lowest unoccupied molecular orbital (LUMO) results in a blue shift in the optical absorption and emission bands. The complexes [Os(N^N'^N″)2]2+ [N^N'^N″ = 2,6-bis(1-phenyl-1,2,3-triazol-4-yl)pyridine (Os1), 2,6-bis(1-benzyl-1,2,3-triazol-4-yl)pyrazine (Os2), 6-(1-benzyl-1,2,3-triazol-4-yl)-2,2'-bipyridyl (Os3), 2-(pyrid-2-yl)-6-(1-benzyl-1,2,3-triazol-4-yl)pyrazine (Os4), 2-(pyrazin-2-yl)-6-(1-benzyl-1,2,3-triazol-4-yl)pyridine (Os5), and 6-(1-benzyl-1,2,3-triazol-4-yl)-2,2'-bipyrazinyl (Os6)] have been prepared and characterized, and all complexes display phosphorescence ranging from the orange to near-IR regions of the spectrum. Replacement of the central pyridine in the ligands of Os1 by the more π-accepting pyrazine in Os2 results in a 55 nm red shift in the triplet metal-to-ligand charge-transfer-based emission band, while a larger red shift of 107 nm is observed for the replacement of one of the triazole donors in the ligands of Os1 by a second pyridine ring in Os3 (λemmax = 702 nm). Interestingly, replacement of the central pyridine ring in the ligands of Os3 by pyrazine (Os4,λemmax = 702 nm) fails to result in a further red shift in the emission band. Reversal of the relative positions of the pyridine and pyrazine donors in Os5 (λemmax = 733 nm) compared to Os4 does indeed result in the expected red shift in the emission with respect to that for Os3 based on the increased π-acceptor character of the ligands present. However, an inversion in emission tuning is observed for Os6, in which the incorporation of a second pyrazine donor in the ligand architecture results in a blue shift in the optical absorption and emission maxima (λemmax = 710 nm). Electrochemical studies reveal that while incorporating pyrazine in the ligands indeed results in an expected anodic shift in the first reduction potential through stabilization of the ligand-based LUMO, there is also a concomitant anodic shift in the OsII/OsIII-based oxidation potential. This stabilization of the metal-based highest occupied molecular orbital (HOMO) thus nullifies the effect of stabilization of the LUMO in Os4 compared to Os3, resulting in these complexes having coincident emission maxima. For Os6, stabilization of the HOMO through the incorporation of two pyrazine donors in the ligand structure now exceeds stabilization of the LUMO, resulting in a larger HOMO-LUMO gap and a counterintuitive blue shift in the optical properties in comparison with those of Os5. While it is known that the replacement of ligands (e.g., replacing bipyridyl with bipyrazinyl) can result in a larger HOMO-LUMO energy gap through greater stabilization of the HOMO, these results importantly allow us to capture the tipping point at which this inversion in photophysical tuning occurs. This therefore enables us to explore the limits available in emission tuning with a relatively simple and minimalist ligand structure.

Change in spectral properties of dyes upon immobilization on silicon surfaces: a combined theoretical and experimental study

Organic dyes, both in solution phase and in immobilized condition, are useful tools for optical detection. Studies have shown that spectral property of dyes in solution are different from that in the immobilized state. In this work, we have studied the optical properties of dyes in solution as well as in immobilized state with three categories of dyes, mono-carboxylic mono-functional, bi-carboxylic bi functional and bi-carboxylic mono-functional. Two linkers (APTES and PEI) were used for attaching the dyes to the silanol terminated silicon surface. Geometries were optimized using density functional theory. Time dependant density functional theory was used to calculate the absorption spectra of free and attached dyes. B3LYP and CAM-B3LYP hybrid functional were used for the theoretical calculations. Experimental results showed that dyes upon immobilization experienced a large red shift in the absorption maxima. The value of the red shift in absorption maxima was comparable for both the linkers. Theoretical calculations indicated this large shift is not due to bond formation between dye and the linker. This leads to the conclusion that aggregation takes place between dye molecules upon immobilization but not in solution, and this causes the large red shift in the absorption maxima values of the immobilized dyes.

Synthesis of the New Green Fluorescent Protein Chromophore Analogue Starting from a Cinnamic Aldehyde Derivative

A novel derivative of green fluorescent protein chromophore (Z)-5-((E)-3-(4-hydroxyphenyl)allylidene)-2,3-dimethyl-3,5-dihydro-4H-imidazol-4-one was synthesised. The desired compound was prepared by the synthetic approach based on the use of carboxyimidate. Comparison of optical properties of the obtained compound and of the classical GFP chromophore analogue (Z)-5-(4-hydroxybenzylidene)-2,3-dimethyl-3,5-dihydro-4H-imidazol-4-one showed the shift of absorption and emission maxima to the long-wavelength region induced by the increase of the conjugated π-system in the benzylidene fragment.

Disperse Dyes Based on 2-N,N-Dibutylamino-4-phenyl thiazole: Synthesis, Solvatochromism, and Dyeing Studies

The coupler 2- N, N-dibutylamino-4-phenyl thiazole was used in the preparation of five novel monoazo disperse dyes. Effects of substituents on the electronic absorption properties of the dyes were studied by UV-Vis spectroscopy. The resulting dyes showed little positive solvatochromism, whereas a bathochromic shift in absorption maxima was observed for all five dyes in highly polar solvents. These dyes showed good discharge ability on polyester fabric when compared to nylon fabric and their fastness properties were evaluated. Being low melting, the new dyes could be used for heat transfer printing at a particular set temperature.

Phospholones from Diacetylenic Ketones: Synthesis, Properties, and Reactivity.

The reactivity of phosphanyl phosphonates toward diacetylenic ketones was studied. Reactions resulted in the selective formation of phospholones via phosphaalkene intermediates. Phospholones were obtained in yields of 37-96% depending on the substituent on the acetylenic unit. Reduction of the phenyl-substituted phospholone resulted in the formation of a persubstituted phosphole bearing a hydroxyl group in position 3 in 64% yield, and its oxidation led to oxaphospholone in 77% yield. Both of these modifications led to substantial changes in the optoelectronic properties of the compounds and bathochromic shifts of the longest wavelength absorption maximum.

Electronic Communication in Pyrrolo[3,2‐b]pyrroles Possessing Sterically Hindered Aromatic Substituents

An investigation of the multicomponent reaction of aldehydes deriving from polycyclic aromatic hydrocarbons with aromatic amines and butane‐2,3‐dione led to the development of new conditions for the synthesis of tetraaryl‐pyrrolo[3,2‐b]pyrroles. A major improvement lies in the use of toluene as a co‐solvent, enabling both the aldehyde and the initially formed imine to be soluble in the reaction mixture. A variety of aldehydes possessing a naphthalene subunit were transformed into a library of pyrrolopyrroles decorated with large aromatic substituents at the 2 and 5 positions, providing yellow‐orange‐emitting dyes with large fluorescence quantum yields and large Stokes shifts. We show that there is a significant π‐conjugation between the peripheral polycyclic subunits and the electron‐rich core, which translates into pronounced bathochromic shifts in absorption and emission maxima compared to the parent molecule. An analysis of the relationship between the degree of planarization of tetraaryl‐pyrrolopyrroles and their photophysical properties is reported. The computational studies, performed with Time‐Dependent Density Functional Theory (TD‐DFT), have revealed that typically electron‐rich polycyclic arenes became electron‐acceptors when attached to pyrrolo[3,2‐b]pyrrole core. It has also been shown that there is a significant change of geometries of these heterocycles between the ground and the excited states.

Preparation and Physicochemical Properties of [6]Helicenes Fluorinated at Terminal Rings.

The first racemization-stable helicene derivatives fluorinated at terminal rings, 1,2,3,4-tetrafluoro[6]helicene (6) and 1,2,3,4,13,14,15,16-octafluoro[6]helicene (15), were synthesized via the Wittig reaction followed by oxidative photocyclization in an overall yield of 41% of 6 and 76% of 15. The changed electronic structure in fluorinated helicenes was reflected in a slight shift of UV-vis absorption, fluorescence excitation, and emission spectra maxima when compared to unsubstituted [6]helicene. Cyclic voltammetry revealed a moderate decrease in the HOMO-LUMO gap with increasing fluorination. The specific rotation of tetrafluoro[6]helicene 6 enantiomers was found to be approximately 25% lower than that of unsubstituted [6]helicene. The theoretical study of the racemization barrier suggested a reasonable shift toward higher energy with increasing fluorination. The increasing fluorination also significantly affected the intermolecular interactions in the crystal lattice. The observed CH···F interactions led to the formation of 1D-molecular chains in the crystal structures of both fluorinated helicenes.

Band gap engineered zinc oxide nanostructures via a sol-gel synthesis of solvent driven shape-controlled crystal growth.

A reliable sol–gel approach, which combines the formation of ZnO nanocrystals and a solvent driven, shape-controlled, crystal-growth process to form well-organized ZnO nanostructures at low temperature is presented. The sol of ZnO nanocrystals showed shape-controlled crystal growth with respect to the solvent type, resulting in either nanorods, nanoparticles, or nanoslates. The solvothermal process, along with the solvent polarity facilitate the shape-controlled crystal growth process, augmenting the concept of a selective adhesion of solvents onto crystal facets and controlling the final shape of the nanostructures. The XRD traces and XPS spectra support the concept of selective adhesion of solvents onto crystal facets that leads to yield different ZnO morphologies. The shift in optical absorption maxima from 332 nm in initial precursor solution, to 347 nm for ZnO nanocrystals sol, and finally to 375 nm for ZnO nanorods, evidenced the gradual growth and ripening of nanocrystals to dimensional nanostructures. The engineered optical band gaps of ZnO nanostructures are found to be ranged from 3.10 eV to 3.37 eV with respect to the ZnO nanostructures formed in different solvent systems. The theoretical band gaps computed from the experimental XRD spectral traces lie within the range of the optical band gaps obtained from UV-visible spectra of ZnO nanostructures. The spin-casted thin film of ZnO nanorods prepared in DMF exhibits the electrical conductivity of 1.14 × 10−3 S cm−1, which is nearly one order of magnitude higher than the electrical conductivity of ZnO nanoparticles formed in hydroquinone and ZnO sols. The possibility of engineering the band gap and electrical properties of ZnO at nanoscale utilizing an aqueous-based wet chemical synthesis process presented here is simple, versatile, and environmentally friendly, and thus may applicable for making other types of band-gap engineered metal oxide nanostructures with shape-controlled morphologies and optoelectrical properties.

Determination of Catharanthus flower anthocyanins

Using the reversed phase high performance liquid chromatography with diode-array and mass-spectrometric (in ESI mode) detection, a composition of Catharanthus roseum petals was established. After the acid hydrolysis, all five anthocyanidins were found to be different comparing to the ordinary anthocyanidins from Vitis vinifera fruits. The anthocyanins were elucidated to be 7-O-methyl derivatives of delphinidin, cyanidin, petunidin, peonidin and malvidin by the analysis of retention in RP HPLC, mass- and UV-visible spectra. The anthocyanins were characterized with UV-visible spectra, having the same fixtures as the set of non-methylated (in position 7) anthocyanin with hypsochromic (4 nm) of spectral maxima. The absorption bands for 7-methlcyanidin and 7-methylpeonidin aglycons and derivatives were indistinguishable while for the set of 7-methydelphinidin, 7-methypetunidin and 7-methylnalvidin (hirsutidin) a consecutive shift of absorption maxima by approximately 1 – 1.5 nm was found. The same was true for non-methylates at position 7 derivatives. The analysis of retention of anthocyanins of the flowers including the comparison with the retention of Mangifera indica skin anthocyanins, mass- and UV-visible spectra indicated that a minor set of anthocyanins included two sets of derivatives. The minor compounds were found to be 3-galactosides for samples under investigation, while the set of the major anthocyanins was represented by 3-rhamnosilgalactosides. Indeed, though through mass-spectra it was not possible to differentiate 3-rhamnosylgalatosides and 3-( p -coumaroylgalactosides) because of m/z coincidence, the retention difference between the two found anthocyanins sets as well as UV-visible spectra excluded the latter type of derivatives. Key words : anthocyanins, HPLC, 7-O-methyl derivatives of delphinidin, cyanidin, petunidin, peonidin and malvidin, 3-galactosides, 3-phamnosylgalactosides, UV-vis spectra, mass-spectrometric detection. (Russian) DOI: http://dx.doi.org/10.15826/analitika.2019.23.1.001 V.I. Deineka 1 , Y.Y. Kulchenko 1 , А .N. Sidorov 1 , I.P. Blinova 1 , S. М . Varushkina 1 , L. А . Deineka 1 , Anh Thi Ngoc Vu 2 1 Belgorod National Research University, Pobeda str., 85, Belgorod, 308015, Russian Federation 2 RUDN University, Miklukho-Maklaya str. 6, Moscow, 117198, Russian Federation

Detection of Mycobacterium tuberculosis purified ESAT-6 (Rv3875) by magnetic bead-coupled gold nanoparticle-based immuno-PCR assay.

PurposeImmuno-PCR (I-PCR), an ultrasensitive method, combines the versatility of ELISA with the exponential amplification capacity of PCR. Coupling of detection antibodies with the reporter DNA is a critical step of I-PCR. Gold nanoparticles (GNPs) and magnetic beads (MBs) are relatively easy to attach with the antibodies and DNA. Therefore, we designed MB-coupled GNP-based I-PCR (MB-GNP-I-PCR) assay for the detection of Mycobacterium tuberculosis antigen.MethodsGNPs were synthesized by chemical reduction and seed-mediated synthesis. Functionalized GNPs were prepared by coupling GNPs with the detection antibodies and reporter DNA and were characterized. Detection limit of M. tuberculosis-specific purified early secreted antigenic target-6 (ESAT-6) (Rv3875) was determined by MB-GNP-I-PCR.ResultsTransmission electron microscopy revealed spherical and slightly polydispersed GNPs of ~20 and ~60 nm size. Coupling of antibodies to GNPs was indicated by a shift in absorption maxima from 524 to 534 nm, which was confirmed by transmission electron microscopy. A color reaction with ELISA and the presence of 76 bp product by PCR further validated the coupling of detection antibodies and signal DNA to the functionalized GNPs. Also, attachment of capture antibodies with MBs was confirmed by magneto-ELISA. Detection limit of purified ESAT-6 by MB-GNP-I-PCR was determined to be 10 fg/mL, 105-fold lower than analogous ELISA. Notably, no sample matrix effect was observed in the saliva samples of healthy individuals spiked with the purified ESAT-6.ConclusionUnlike conventional I-PCR (solid format), MB-GNP-I-PCR (liquid format) is relatively simple with the reduced background signals, which can be further exploited for the clinical diagnosis of tuberculosis.

Optical Properties of Thin Films of Zinc Phthalocyanines Determined by Spectroscopic Ellipsometry

The optical properties of thin films based on unsubstituted and tetrafluoro-substituted zinc phthalocyanines synthesized by physical vapor deposition are studied within the wavelength range of 250–1000 nm. Spectroscopic ellipsometry shows that films based on zinc phthalocyanines have uniform thicknesses and optical parameters, strongly absorb visible light, and have characteristic absorption peaks corresponding to electronic transitions in the system of conjugated double bonds of phthalocyanine rings. Introduction of fluorine substituents into peripheral positions of the zinc phthalocyanine molecule leads to an increase in light absorption and a shift of the main absorption maximum to longer wavelengths (bathochromic shift). The absorption spectra are described using the Lorentz–Drude dispersion model. It is shown that the films based on a mixture of phthalocyanines can be well described using the Bruggeman effective medium model.

Regioisomeric synthesis of chlorin-e6 dimethyl esters and their optical properties

Chlorin-[Formula: see text] dimethyl esters possessing a single carboxy group at the 13-, 151-, or 172-position were prepared by chemically modifying chlorophyll-[Formula: see text]. These three synthetic regioisomers were fully characterized by their mass, NMR, and visible absorption spectra. Their molecular structures were unambiguously identified by the specific 1H–[Formula: see text]C correlation at the 13-, 15-, and/or 17-substituents in their respective HMBC spectra. Methyl esterification of 13/151-COOH and hydrolysis of 13/151-COOMe affected small shifts of the Qy absorption and fluorescence emission maxima in a diluted CH2Cl2 solution, while no substitution effect of 172-COOH/Me was observed.

A fluorescent probe for hydrazine based on a newly developed 1-indanone-fused coumarin scaffold

A 7-diethylaminocoumarin and 1-indanone-fused fluorescent dye (CI) was developed. CI was superior to traditional coumarins in terms of bathochromic shift in absorption and emission maxima (λabs/λem = 518/598 nm in ethanol). To illustrate its value, we rational designed a new hydrazine-selective fluorescent probe by the judicious anchoring of CI to malononitrile to form CI-DCV. Upon mixing with hydrazine, the dicyanovinyl group of CI-DCV was converted to the corresponding hydrazone, which inhibited the intramolecular charge transfer within the probe, thereby affording remarkable blue shifts in the absorption and fluorescence spectra. The proposed probe shows high selectivity toward hydrazine over other structural analogs and reductive species and can be applied in hydrazine detection in a variety of samples.

Changeover in the third order NLO behaviour of p-nitrophenol doped ammonium hydrogen oxalate hemihydrate crystals

The organic material, p-nitrophenol doped ammonium hydrogen oxalate hemihydrate was grown as single crystals at room temperature by slow evaporation solution growth technique in a constant temperature bath (± 0.01 °C). Doping by p-nitrophenol results in the partial substitution of an anion or a cation and causes changes in the physical properties of ammonium hydrogen oxalate hemihydrate. The grown crystals were characterized by XRD, FT-IR and FT-Raman spectral analyses. The UV–Vis–NIR spectrum was recorded to understand the range of optical transparency and the results showed its suitability for nonlinear optical applications. A shift in maximum absorption and a higher bandgap of 5.158 eV is observed. Dopant inclusion introduces nonlinearity in the sample. Z-scan studies show that the material exhibits saturable absorption rather than reverse saturable absorption as exhibited by its parent. Third order susceptibility and second order hyperpolarizability were calculated. Thermal properties of the crystals indicated that the material does not decompose before melting. The grown title compound shows normal dielectric behaviour when investigated at different frequencies and temperatures. The material is soft and produces etch pits when etched with acetone as etchant.