Experimental and computational studies on optical properties of a promising N-benzylideneaniline derivative for non-linear optical applications

Naseema, K.; Sreedharan, Rakhi; Ravi, Sarath; Ravindran, Raghi Kottoly; Krishnankutty, Manoj Kumar Thanathu

doi:10.1515/zna-2020-0047

Cited by 4 publications

(3 citation statements)

References 38 publications

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“…Previous studies have reported that large PNPA crystals can be grown from chloroform and methanol mixtures via slow evaporation . Our additional studies demonstrate that crystal growth via slow evaporation from CH 2 Cl 2 provides the best quality crystals with the largest sizes.…”

Section: Methodssupporting

confidence: 56%

“…Previous studies have reported that large PNPA crystals can be grown from chloroform and methanol mixtures via slow evaporation. 25 Our additional studies demonstrate that crystal growth via slow evaporation from CH 2 Cl 2 provides the best quality crystals with the largest sizes. In a typical slow evaporation experiment, 3.3 g of powdered (pure) PNPA was dissolved in 100 mL of CH 2 Cl 2 with heating and stirring until all solids are dissolved.…”

Section: ■ Introductionmentioning

confidence: 74%

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A New Standard in High-Field Terahertz Generation: the Organic Nonlinear Optical Crystal PNPA

Rader

Zaccardi

et al. 2022

ACS Photonics

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We report the full characterization of a new organic nonlinear optical (NLO) crystal for intense THz generation: PNPA ((E)-4-((4-nitrobenzylidene)amino)-N-phenylaniline). We discuss crystal growth and structural characteristics. We present the wavelength dependence of THz generation, the thickness dependence of the THz spectrum for PNPA crystals and measure the efficiency. PNPA enables intense THz generation that surpasses NLO crystals DAST and OH-1, which have been the standard in organic high-field THz generators for several years. With our experimental conditions, PNPA can generate a peak-topeak field strength of 2.9 MV/cm compared to 2.2 and 1.5 MV/cm from DAST and OH-1, respectively. This corresponds to a THz generation efficiency exceeding 4%.

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Section: Methodssupporting

confidence: 56%

Section: ■ Introductionmentioning

confidence: 74%

A New Standard in High-Field Terahertz Generation: the Organic Nonlinear Optical Crystal PNPA

Rader

Zaccardi

et al. 2022

ACS Photonics

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“…The choice of solvent played a key factor for the growth of fair quality single crystals. [ 15 ] In order to identify the suitable solvent, solubility of ABAQ salt in different solvents of water and ethanol was determined. The solubility of ABAQ in water and ethanol was accessed as a function of temperature in the range of 30 and 65 °C.…”

Section: Methodsmentioning

confidence: 99%

Linear‐Nonlinear Optical and Quantum Chemical Studies on Quinolinium 4‐Aminobenzoate: A Third Order Non‐Linear Optical Material for Optoelectronic Applications

Ravi

Sreedharan

Raghi

et al. 2020

Crystal Research and Technology

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Good quality single crystals of a non‐linear optical (NLO) material, quinolinium 4‐aminobenzoate (ABAQ), are grown by employing solution growth technique. The crystal structure is confirmed via single crystal X‐ray diffraction studies. Grown crystals of the ABAQ compound are characterized by powder X‐ray diffraction, Fourier transform infrared, thermal analysis, and mechanical studies. Ultraviolet–vis–near infrared (UV–vis–NIR) and photoluminescence spectra reflect the optical transmission range of the obtained compound. Dielectric studies and laser damage threshold measurement are carried out to verify the non‐linear activity and surface resistance of the grown crystal. From the Kurtz Perry powder technique, the second harmonic generation efficiency of the ABAQ compound is estimated to be 90% that of the standard potassium dihydrogen phosphate. Z‐Scan technique is performed to investigate the non‐linear behavior of ABAQ crystal. The suitability of ABAQ material for optical limiting and switching applications is also verified. Computational analysis performed upon the stable geometry of ABAQ molecule using density functional theory strongly supports the experimental findings with a significant chemical background. The non‐linear behavior of the title compound is determined by investigating various non‐linear optical (NLO) parameters of electric dipole moment, polarizability, and hyperpolarizability. Based on these inferences, the ABAQ material can be declared as a promising material for optical limiting and switching applications in optoelectronics regime.

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Exploring Spectral and Electrochemical Behavior of Hydroxy‐N‐Benzylideneanilines by Integrated Theoretical and Experimental Approaches

Hota,

Biswal,

Dash

et al. 2024

J of Physical Organic Chem

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The present work explored the effect of –OH group substitution (o/p) on the spectral and electrochemical behavior of N‐benzylideneaniline. The geometry optimization of unsubstituted and (o/p)‐OH‐substituted analogs revealed the coplanarity of the molecules. The vibrational spectra of the compounds were computed using density functional theory (DFT) and compared with the experimental data. The observed bands were assigned based on total energy distribution (TED). Predicted electronic absorption spectra from time‐dependent density functional theory (TD‐DFT) calculation were compared with the UV–visible spectra of the molecules. The analysis of the lowest spin‐allowed (singlet‐singlet) excited states divulged possible electronic transition. The o‐substituted benzylideneaniline possessed the lowest highest occupied molecular orbital (HOMO)–lowest unoccupied molecular orbital (LUMO) energy gap among the substituted and unsubstituted analogs. The intramolecular contacts were interpreted using natural bond orbital and localized molecular orbital analysis. The –CH=N– linkage was investigated as a bridge for the electron delocalization from the donor to acceptor moieties. The manifestation of a reduction peak in the cyclic voltammetric studies confirmed the electrochemical behavior in the –OH‐substituted molecule, which was diffusion‐controlled. The discrepancy in the electrochemical property concerning the position of the –OH substituent of the candidate molecules was put forward.

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Experimental and computational studies on optical properties of a promising N-benzylideneaniline derivative for non-linear optical applications

Cited by 4 publications

References 38 publications

A New Standard in High-Field Terahertz Generation: the Organic Nonlinear Optical Crystal PNPA

A New Standard in High-Field Terahertz Generation: the Organic Nonlinear Optical Crystal PNPA

Linear‐Nonlinear Optical and Quantum Chemical Studies on Quinolinium 4‐Aminobenzoate: A Third Order Non‐Linear Optical Material for Optoelectronic Applications

Exploring Spectral and Electrochemical Behavior of Hydroxy‐N‐Benzylideneanilines by Integrated Theoretical and Experimental Approaches

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