Crystal growth, structural, thermal, and dielectric characterization of Tutton salt (NH4)2Fe(SO4)2·6H2O crystals

Ganesh, G.; Ramadoss, A.; Kannan, Piskala Subburaman; SubbiahPandi, A.

doi:10.1007/s10973-012-2577-y

Cited by 27 publications

(5 citation statements)

References 33 publications

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“…Additionally, some of the following parameters can be evaluated from the XRD data. 16 The density ρ of the grown crystal is 1.465 kg m −3 . The molecular weight M of LPLPB is 1.465 kg m −3 and the total number of valence electrons Z′ calculated is 136.…”

Section: Single-crystal X-ray Diffractionmentioning

confidence: 99%

l-Phenylalaninel-phenylalaninium bromide – a new nonlinear optical material

Surekha¹,

Gunaseelan

Sagayaraj³

et al. 2014

CrystEngComm

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L-Phenylalanine L-phenylalaninium bromide (LPLPB), an amino acid non-centrosymmetric crystal having a large second harmonic generation (SHG) efficiency, being 4.5 times that of KH 2 PO 4 (KDP), has been successfully grown using a slow evaporation method employing a temperature gradient technique. The structure of the grown crystal was solved and refined by single-crystal X-ray diffraction, and this demonstrates that it belongs to a monoclinic system with the space group P2 1 . The confirmation of its functional groups was recorded using Fourier transform infrared spectroscopy. Thermogravimetric analysis (TGA) and differential scanning calorimetry (DSC) were used to study its thermal properties. The optical behaviour was examined and its optical constants were determined by UV-vis analysis. Dielectric spectroscopy reveals the dielectric nature of the grown crystal. The mechanical strength of the grown LPLPB was estimated by microhardness studies, and the Young's modulus of the grown LPLPB was calculated to be 3.310 × 10 10 N m −2 .

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Section: Single-crystal X-ray Diffractionmentioning

confidence: 99%

l-Phenylalaninel-phenylalaninium bromide – a new nonlinear optical material

Surekha¹,

Gunaseelan

Sagayaraj³

et al. 2014

CrystEngComm

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“…31,32 In order to determine these values, it is necessary to take the known values like mass (M = 225.29 g/mol) and density (ρ = 1.187 Mg/m 3 ) from single crystal XRD data. 33 Likewise, the effective number of valence electrons Z = 82 and the high-frequency dielectric constant ε r (for 1 MHz) at 40 °C of the DEBM crystal found to be 39.67, which helps us to evaluate aforementioned parameters. Consequently, the correlation between the valence electron plasma energy (ℏω ρ ), Penn gap (E p ), and Fermi energy (E F ) could be described based on the following formulas: 34,35…”

Section: Resultsmentioning

confidence: 85%

“…Note, the value of dielectric constant in giant frequency position (MHz) has been employed to evaluate the plasma energy, Penn gap, Fermi energy, and electrical polarizability of the grown crystal. , In order to determine these values, it is necessary to take the known values like mass ( M = 225.29 g/mol) and density (ρ = 1.187 Mg/m 3 ) from single crystal XRD data . Likewise, the effective number of valence electrons Z = 82 and the high-frequency dielectric constant ε r (for 1 MHz) at 40 °C of the DEBM crystal found to be 39.67, which helps us to evaluate aforementioned parameters.…”

Section: Resultsmentioning

confidence: 99%

Bulk Crystal Growth, Optical, Electrical, Thermal, and Third Order NLO Properties of 2-[4-(Diethylamino)benzylidene]malononitrile (DEBM) Single Crystal

Asokan

Kalainathan

2017

J. Phys. Chem. C

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Bulk organic nonlinear optical (NLO) single crystals of DEBM (2-[4-(diethylamino)benzylidene]malononitrile), with sizes up to 22 × 5 × 12 mm 3 have been grown in ethyl acetate solution by the slow evaporation method. The lattice parameters and crystalline purity of the titled crystal were measured by single crystal X-ray diffraction and powder XRD, respectively. The morphology of the grown crystal was portrayed by WinXMorph program. Fourier transform infrared (FT-IR) spectral studies have been performed to identify the functional groups. The molecular structure was confirmed through 1 H NMR. UV−vis−NIR spectral analysis signifies that the DEBM crystal is transparent in entire visible and near-infrared region, which has a lower cutoff wavelength around 476.8 nm. The optical band gap (E g ) was estimated from the Tauc plot and was found to be about 2.68 eV. The low value of the dielectric constant (ε r ) of DEBM suggests that it has a possible strategy toward the microelectronics industry. Thermal stability and melting point (137.8 °C) were studied with TGA−DSC analysis. The laserinduced damage threshold (LDT) experiments showed that the grown DEBM bulk crystal possess an excellent resistance to laser radiation with a high threshold up to 1.95 GW cm −2 , it is still better compared to other organic and inorganic NLO materials. The third-order optical nonlinearities of the DEBM crystal was confirmed by the single beam Z-scan technique. All these results demonstrate that the organic crystal DEBM is promising for NLO applications.

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“…Thermochemical heat storage materials, which offer an alternative solution to the global energy problem, have also been in a high demand [6,7]. In this context, Tutton salts stand out due to their versatility in the various branches of science, having the potential to be used as ultraviolet light (UV) filters [8], thermal energy storage materials [9], and other applications [10][11][12][13][14].…”

Section: Introductionmentioning

confidence: 99%

Crystal growth, crystal structure determination, and computational studies of a new mixed (NH4)2Mn1–xZnx(SO4)2(H2O)6 Tutton salt

et al. 2022

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Tutton salts have been extensively explored in recent decades due to their attractive physical and chemical properties, which make them potential candidates for thermochemical heat storage systems and optical technologies. In this paper, a series of new mixed Tutton salts with the chemical formula (NH4)2Mn1–xZnx(SO4)2(H2O)6 is reported. Crystals are successfully grown by the solvent slow evaporation method and characterized by powder X-ray diffraction (PXRD) with Rietveld refinement. In particular, the crystal structure of the mixed (NH4)2Mn0.5Zn0.5(SO4)2(H2O)6 crystal is solved through PRXD data using the DICVOL06 algorithm for diffraction pattern indexing and the Le Bail method for lattice parameter and spatial group determination. The structure is refined using the Rietveld method implemented in TOPAS® and reported in the Cambridge Structural Database file number 2104098. Moreover, a computational study using Hirshfeld surface and crystal void analyses is conducted to identify and quantify the intermolecular interactions in the crystal structure as well as to determine the amount of free space in the unit cell. Furthermore, 2D-fingerprint plots are generated to evaluate the main intermolecular contacts that stabilize the crystal lattice. Density functional theory is employed to calculate the structural, thermodynamic, and electronic properties of the coordination [Zn(H2O)6]2+ and [Mn(H2O)6]2+ complexes present in the salts. Molecular orbitals, bond lengths, and the Jahn–Teller effect are also discussed. The findings suggest that in Mn-Zn salts several properties dependent on the electronic structure can be tuned up by modifying the chemical composition.

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Crystal growth, structural, thermal, and dielectric characterization of Tutton salt (NH4)2Fe(SO4)2·6H2O crystals

Cited by 27 publications

References 33 publications

l-Phenylalaninel-phenylalaninium bromide – a new nonlinear optical material

l-Phenylalaninel-phenylalaninium bromide – a new nonlinear optical material

Bulk Crystal Growth, Optical, Electrical, Thermal, and Third Order NLO Properties of 2-[4-(Diethylamino)benzylidene]malononitrile (DEBM) Single Crystal

Crystal growth, crystal structure determination, and computational studies of a new mixed (NH4)2Mn1–xZnx(SO4)2(H2O)6 Tutton salt

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