Crystal growth, spectral, optical, laser damage, photoconductivity and dielectric properties of semiorganic l-cystine hydrochloride single crystal

Chandran, Senthil Kumar; Rajesh, P.; Ramasamy, P.

doi:10.1016/j.saa.2015.06.113

Cited by 34 publications

(4 citation statements)

References 27 publications

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“…Finally, the band at 1490 cm −1 is due to COO-stretching while bands at 1584 and 845 cm −1 are due to the asymmetric deformation and rocking vibrations of NH 3+ , supporting the zwitterionic nature of cystine in the solid state. These results are consistent with previous publications [68][69][70]. Comparing the experimental with the DFT-D spectrum, a global shift in wavenumbers can be observed.…”

Section: The Case Of Cystinuriasupporting

confidence: 93%

Cystinuria and cystinosis are usually related to L-cystine: is this really the case for cystinosis? A physicochemical investigation at micrometre and nanometre scale

Bazin¹,

Rabant²,

Mathurin³

et al. 2022

Comptes Rendus. Chimie

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Section: The Case Of Cystinuriasupporting

confidence: 93%

Cystinuria and cystinosis are usually related to L-cystine: is this really the case for cystinosis? A physicochemical investigation at micrometre and nanometre scale

Bazin¹,

Rabant²,

Mathurin³

et al. 2022

Comptes Rendus. Chimie

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“…The atomic and electronic band structures of materials are associated with the bandgap ( E g ) of the material. The optical absorption coefficient was determined using the formula [ 59,60 ] :

\begin{equation}\alpha = \frac{{2.306}}{d}\ A\end{equation}

…”

Section: Resultsmentioning

confidence: 99%

Crystal Growth, Optical, Thermal, DFT and Z‐Scan Studies of Imidazolium Hydrogen Fumarate Crystal for Nonlinear Optical Applications

Chinnakannu,

Sankar,

Chandran

et al. 2024

Cryst. Res. Technol.

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Organic imidazolium hydrogen fumarate (IHF) crystals are grown using the slow evaporation method. The IHF has triclinic crystal structure. The 1H NMR spectrum has five chemical shifts for the IHF crystal. The band at 3155 cm−1 in IR occurs due to the presence of O─H stretching vibration of the IHF molecule. The bandgap value of the IHF crystal is determined to be 4.6 eV. The intense violet emission band is noted at 361 nm. The IHF crystal has thermal stability value of 179 °C. Hirshfeld surface is used to find out the different intermolecular interactions of the IHF crystal. The HOMO–LUMO energy gap is determined to be 4.70 eV. The hydrogen atoms have positive potential in the MEP analysis. The high stabilization energy of 56.81 kcal mol−1 is noticed for π*(C1─N7) → π*(C2─C3) interaction. The third‐order NLO susceptibility (χ(3)) of the IHF is 2.08934 × 10−9 esu.

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“…The material's atomic and electronic band structures are very important in the electronic band gap (Eg) of the material. The optical absorption coefficient (α) can be evaluated using the following formula [Tauc et al (1966), Senthilkumar et al (2015)]:…”

Section: Uv-vis-nir Studymentioning

confidence: 99%

Crystal growth, Structural, Optical, Thermal, DFT and Z-scan analyses of Imidazolium Hydrogen Oxalate Crystal for Nonlinear Optical applications

Chinnakannu,

Sankar,

Chandran

et al. 2023

Preprint

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Imidazolium Hydrogen Oxalate (IHO) single crystals were grown by the slow evaporation method. The title crystal crystallized in a monoclinic crystal structure with a centrosymmetric space group of P21/n. The 13C and 1H NMR spectra were obtained to understand the molecular structure of the IHO crystal. The 1H NMR contains a peak at 4.90 ppm, which is due to the presence of proton in oxalic acid. The O-H stretching vibration is noted at 3162 cm− 1 in FT-IR and in FT-Raman at 3172 cm− 1. The optical transparency and band gap were evaluated from the UV-Vis-NIR spectrum. The PL spectrum has a high violet emission band at 361nm. TG/DTG study was used to find the thermal stability of the IHO crystal. Hirshfeld surface (HS) analysis revealed the molecular intermolecular interactions in the IHO molecule. The molecular chemical stability of the IHO molecule is determined from the HOMO-LUMO energy gap. The DOS spectrum gives information about the bonding, antibonding, and zero bonding nature present in orbitals, atoms, and molecules. The dipole moment (µ) and total polarizability (α) of the IHO molecule are 13.0268 Debye and 8.2652 x 10− 24 esu, respectively. According to the Mulliken charge distribution, the C11 atom has the highest value, while the O16 atom has the lowest value. The IHO molecule's natural bond orbital (NBO) analysis was performed to ascertain the electron delocalization and conjugative interactions. The third-order nonlinear susceptibility (χ(3)) of the IHO crystal is determined to be 1.1916 x 10− 8 esu.

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Crystal growth, spectral, optical, laser damage, photoconductivity and dielectric properties of semiorganic l-cystine hydrochloride single crystal

Cited by 34 publications

References 27 publications

Cystinuria and cystinosis are usually related to L-cystine: is this really the case for cystinosis? A physicochemical investigation at micrometre and nanometre scale

Cystinuria and cystinosis are usually related to L-cystine: is this really the case for cystinosis? A physicochemical investigation at micrometre and nanometre scale

Crystal Growth, Optical, Thermal, DFT and Z‐Scan Studies of Imidazolium Hydrogen Fumarate Crystal for Nonlinear Optical Applications

Crystal growth, Structural, Optical, Thermal, DFT and Z-scan analyses of Imidazolium Hydrogen Oxalate Crystal for Nonlinear Optical applications

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