Ultrafast optical nonlinearity, electronic absorption, vibrational spectra and solvent effect studies of ninhydrin

Sajan, D.; Devi, T. Uma; Safakath, K.; Philip, Reji; Němec, Ivan; Karabacak, M.

doi:10.1016/j.saa.2013.03.001

Cited by 20 publications

(7 citation statements)

References 53 publications

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“…The measured data (open circles) fits well to the nonlinear transmission equation for two-photon absorption with weak absorption saturation. The result obtained is similar to those obtained for compounds like ninhydrin and rhodamine B . The presence of saturable absorption (SA) and two-photon absorption (TPA) modifies the intensity-dependent effective nonlinear-absorption coefficient α( I ) to where α 0 is the unsaturated linear absorption coefficient at the excitation wavelength, I is the laser intensity, I s is the saturation intensity, and β eff is the effective TPA coefficient.…”

Section: Results and Discussionsupporting

confidence: 77%

“…well to the nonlinear transmission equation for two-photon absorption with weak absorption saturation. The result obtained is similar to those obtained for compounds like ninhydrin 39 and rhodamine B. 40 The presence of saturable absorption (SA) and two-photon absorption (TPA) modifies the intensity-dependent effective nonlinear-absorption coefficient α(I) to…”

Section: Resultssupporting

confidence: 75%

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Electronic and Nonlinear Optical Properties of l-Histidine on Silver: A Theoretical and Experimental Approach

Felscia¹,

Nidya²,

Sankar

2018

J. Phys. Chem. A

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An investigation of the electrostatic interactions between histidine and silver have been analyzed using density functional theory (DFT). Variations in the structural parameters were identified to be significant at those atoms of histidine near the silver cluster. The shifting of frontier molecular orbitals, reduction in bandgap, molecular electrostatic potential (MEP), and overlap of natural bond orbitals (NBO) between silver and histidine have been theoretically calculated. The results confirm the redistribution of charges consequent to the process of adsorption. On the basis of time-dependent density functional theory (TDDFT), two peaks were generated at 301 and 409 nm in the simulated UV-vis spectrum. Theoretical vibrational Raman analysis of the investigated molecules strongly confirms the process of adsorption. Nonlinear optical (NLO) properties are predicted by theoretical studies and confirmed experimentally via open-aperture Z-scan. The adsorption of histidine on silver enhances the NLO parameters, indicating that it is a promising candidate for NLO devices.

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Section: Results and Discussionsupporting

confidence: 77%

Section: Resultssupporting

confidence: 75%

Electronic and Nonlinear Optical Properties of l-Histidine on Silver: A Theoretical and Experimental Approach

Felscia¹,

Nidya²,

Sankar

2018

J. Phys. Chem. A

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“…It is known that the significance of the polarizability and the first hyperpolarizability of molecular systems is dependent on the efficiency of electronic communication between acceptor and the donor groups as that will be the key to intra molecular charge transfer [40,41]. The acceptor and donor groups have an important role in the polarizability and first hyperpolarizability.…”

Section: Nonlinear Optical (Nlo) Effectsmentioning

confidence: 99%

Molecular structure, spectroscopic characterization, HOMO and LUMO analysis of 3,3′-diaminobenzidine with DFT quantum chemical calculations

Karabacak

Bilgili

Ataç

2015

Spectrochimica Acta Part A: Molecular and Biomolecular Spectros

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“…The absorption cut-off wavelength of the crystalline phase is observed around 460 nm. The absorption edge of the optical spectrum of UNMH crystal is being red-shifted as compared to that of urea [26] and ninhydrin [32]. Hence the inherited molecular symmetry can be used to explain the observed optical absorption differences.…”

Section:  Figurementioning

confidence: 99%

“…Significant efforts have concentrated on investigating the molecular level mechanisms in such organic systems based on the appropriate electron donor-acceptor interactions and optical nonlinearity [32,33] by vibrational spectroscopy based on the density functional theory (DFT) quantum chemical computational method [34][35][36]. A systematical study using the experimental observations and the theoretical predictions on molecular structure, vibrational, electronic and nonlinear properties for the title crystal is necessary for the design of new and efficient NLO materials for photonics applications and to identify the potentiality of the title crystal in the relevant field of NLO applications.…”

Section: Introductionmentioning

confidence: 99%

Qualitative and quantitative approach towards the molecular understanding of structural, vibrational and optical features of urea ninhydrin monohydrate

Sasikala¹,

Sajan²,

Chaitanya

et al. 2017

Materials Chemistry and Physics

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In this study, single crystals of urea ninhydrin monohydrate (UNMH) have been grown by slow evaporation method. The grown crystals were characterized by FT-IR, FT-Raman and UV-Vis-NIR spectroscopies. The Kurtz and Perry powder method was employed to confirm the near-zero SHG efficiency of the as-grown centrosymmetric UNMH crystal. The third order nonlinearity of the crystal has been studied by the open aperture Z-scan method. The nonlinear absorption coefficient is calculated and the potentiality of UNMH in optical limiting applications is identified. The molecular geometry and the origin of optical nonlinearity at the molecular level have been investigated by the density functional theory. The normal coordinate analysis was carried out to assign the molecular vibrational modes. Vibrational spectral studies confirms the presence of weak O-H•••O and moderate O-H•••O type hydrogen bonds in the molecule as well as O-H•••O, N-H•••O and blue-shifted C-H•••O type H-bonds in the crystal. The intramolecular charge transfer interactions and the electronic absorption mechanisms have been discussed. The static and the dynamic values of hyperpolarizabilities for UNMH were estimated theoretically by DFT methods.

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Ultrafast optical nonlinearity, electronic absorption, vibrational spectra and solvent effect studies of ninhydrin

Cited by 20 publications

References 53 publications

Electronic and Nonlinear Optical Properties of l-Histidine on Silver: A Theoretical and Experimental Approach

Electronic and Nonlinear Optical Properties of l-Histidine on Silver: A Theoretical and Experimental Approach

Molecular structure, spectroscopic characterization, HOMO and LUMO analysis of 3,3′-diaminobenzidine with DFT quantum chemical calculations

Qualitative and quantitative approach towards the molecular understanding of structural, vibrational and optical features of urea ninhydrin monohydrate

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