Investigations on Structural, Mechanical, Optical, Electrical, Third-Order Nonlinear Optical and Antibacterial Activity of 4-Aminopyridine Monophthalate Single Crystal

Priya, S.; Balakrishnan, Kalpana; Surendran, P.; Lakshmanan, A.; Geetha, P.; Rameshkumar, P.; Hegde, Tejaswi Ashok; Vinitha, G.; Raj, A. Antony

doi:10.1007/s11664-020-08497-w

Cited by 9 publications

(6 citation statements)

References 62 publications

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“…where F i,j is the off-diagonal NBO Fock matrix element, q i refers to the occupancy donor orbital and E i ,-E j refers to the diagonal elements (orbital energies). Higher E (2) value indicates fervent interaction between donors and acceptors of electron [34]. The observed results from the NBO analysis indicate the stabilization interactions to be a large in UBA crystal.…”

Section: Nbo (Natural Bonding Orbitals)mentioning

confidence: 77%

“…Donoracceptor inter reactions in the NBO basis were determined by analyzing second-order perturbation theory of Fock matrix [33]. The stabilization energy E (2) related with the delocalization donor (i)→ acceptor (j) can be obtained using the relation,…”

Section: Nbo (Natural Bonding Orbitals)mentioning

confidence: 99%

“…Smart materials or intelligent materials are used as novel NLO materials [1]. Organic compounds have high delocalized conjugated system with strong electron donors (−NR, −OR, etc) and strong electron acceptors (-NO 2 , -CN, -COOH, -SO 3 H, etc) [2]. Organic crystals exhibit better third-order nonlinear optical (NLO) properties due to the presence of delocalized π-bonded electron system [3].…”

Section: Introductionmentioning

confidence: 99%

“…Light passing through any NLO material gets altered which depends on its temperature, orientation and wavelength of the light etc [5][6][7]. The organic materials with inclusion of aromatic ring are highly suitable for χ (2) (second-order) and χ (3) (third-order) NLO applications since their high optical damage, higher nonlinearity and ultrafast or electronic response [8]. There is a huge ultimatum, for novel NLO materials with large NLO figures of merit that are widely used as they possess good stability, large laser damage threshold with low mechanical strength.…”

Section: Introductionmentioning

confidence: 99%

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Third order nonlinearity examined by pulsed and CW lasers: an organic urea barbituric acid (UBA) single crystal for optical limiting application with DFT study

Suresh,

Jauhar,

Girisun

et al. 2024

Mater. Res. Express

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Bulk size of urea barbituric acid single crystal which have not been reported earlier was successfully grown by slow evaporation solution growth method. Single-crystal XRD brought out the lattice constant and the crystal system is observed to be monoclinic with space group P. Functional group of UBA were determined by FT-IR. Title crystal is entirely visible from 270 to 900 nm with linear optical energy gap value to be 4.50 eV. The observed HOMO-LUMO energy gap was 5.21 eV. Thermally, UBA crystal is found to be stable up to 184˚C. The Cp value of UBA increases from 1.21 to 1.58 J/gK with the temperature difference from 30 to 100˚C. UBA shows good photoconductive nature and it found to be positive and Laser Damage Threshold (LDT) value of UBA crystal is 0.97 GW/cm2. Hardness testing confirms that UBA crystal belongs to soft nature category. Dielectric properties of UBA crystal are studied as a function of frequency and temperature. Third order NLO properties of the UBA crystal were studied under CW and pulsed lasers (ns) regimes using Z-scan technique. Good Optical limiting (OL) response confirms the efficiency of UBA crystal to be used as optical limiters for protection towards short pulse lasers.

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Section: Nbo (Natural Bonding Orbitals)mentioning

confidence: 77%

Section: Nbo (Natural Bonding Orbitals)mentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

See 2 more Smart Citations

Third order nonlinearity examined by pulsed and CW lasers: an organic urea barbituric acid (UBA) single crystal for optical limiting application with DFT study

Suresh,

Jauhar,

Girisun

et al. 2024

Mater. Res. Express

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show abstract

“…Characteristics such as intermolecular interaction, solubility, and conductivity may be important in antibacterial activity. Investigating the title compound's for antibacterial properties has demonstrate that the existence of hydrogen bonding interactions boost antibacterial effectiveness significantly [31][32][33][34][35]. Furthermore, the presence of a free HNCCO moiety promotes the delocalization of π-electrons over the PPTSA molecule, increasing lipophilicity [36].…”

Section: Resultsmentioning

confidence: 99%

Studies on structural, optical nonlinearity and antibacterial activity of Piperazine (bis) p-toluenesulfonate single crystal for optical limiting and biological applications

Balakrishnan

Priya

Lakshmanan

et al. 2023

Phys. Chem. Solid St.

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Piperazine (bis) p-toluenesulfonate (PPTSA), an organic single crystal was synthesized and grown at environmental temperature by slow evaporation process using methanol as the solvent. The grown PPTSA crystal is from the triclinic system and belongs to the space group P1-. Powder X-ray diffraction was performed to ensure lattice parameters. Analysis and confirmation of functional groups and bonds were carried out through FT-IR spectral study. The optical characteristics were investigated using the UV-Vis spectrum such as the optical absorption, cut-off wavelength were calculated. The photoluminescence investigation was conducted to assess the luminous characteristics of grown crystal. The calculated NLO parameters like β, n2, and χ(3) were found to be 0.0495×10-4 (cm/W), 8.705×10-10 (cm2/W), 5.316×10-7 (esu) and Optical Limiting threshold value was found to be 3.074×10-3 (Wcm-2). Antibacterial studies were carried out to investigate the biological significance against selected foodborne germs.

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Crystal growth, structural, optical, thermal, DFT and SHG studies of an organic crystal: 2,6-diaminopyridin-1-ium hydrogen glutarate (2,6 DAG)

Karthika,

Senthilkumar,

Dhivya

et al. 2024

J Mater Sci: Mater Electron

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Investigations on Structural, Mechanical, Optical, Electrical, Third-Order Nonlinear Optical and Antibacterial Activity of 4-Aminopyridine Monophthalate Single Crystal

Cited by 9 publications

References 62 publications

Third order nonlinearity examined by pulsed and CW lasers: an organic urea barbituric acid (UBA) single crystal for optical limiting application with DFT study

Third order nonlinearity examined by pulsed and CW lasers: an organic urea barbituric acid (UBA) single crystal for optical limiting application with DFT study

Studies on structural, optical nonlinearity and antibacterial activity of Piperazine (bis) p-toluenesulfonate single crystal for optical limiting and biological applications

Crystal growth, structural, optical, thermal, DFT and SHG studies of an organic crystal: 2,6-diaminopyridin-1-ium hydrogen glutarate (2,6 DAG)

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