Linear and nonlinear optical properties of novel Schiff‐base modified calix[4]arene: Synthesis and characterization

Shokrzadeh, Majid; Dilmaghani, Karim Akbari

doi:10.1002/jccs.202200005

Cited by 4 publications

(3 citation statements)

References 17 publications

Supporting

Mentioning

Contrasting

Order By: Relevance

“…The direct band gap of the compound was calculated using the Tauc'splot [25] method, as illustrated in figure 5 Optoelectronic studies attribute the capacity of light absorbed by molecules, which determines the mass extinction coefficient per unit mass density, and is expressed in terms of molar mass and molar extinction coefficient [25][26]. Calculated optical band gap 3.503 eV for HB and 3.50 eV(HBA) 3.46 eV(HBC) and 3.08 eV for HBN corresponds to optical transition helps to determine refractive index HB(2.282);HBA(2.282);HBC(2.288) and HBN (2.357) of compounds [27][28][29]. Studies on synthesized Schiff base compounds with nitro groups are convinced with a refractive index as a semiconducting material suitable for technological applications.…”

Section: Resultsmentioning

confidence: 99%

“…At these angles, the intensities were reduced with changes in the neighbouring layers, indicating the development of a strain with low ordering. At higher increasing angles (20)(21)(22)(23)(24)(25)(26)(27)(28)(29)(30) the pattern of the compound changes, and approximately 25°identical ordering, high crystallinity, and purity of the compound are present.…”

Section: Resultsmentioning

confidence: 99%

“…On the analysis of the NMR spectrum of HB showed the peak at δppm 9.8(CHO), 7.9(2H,Benzaldehyde) and 6.9(3H,Benzaldehyde).The NMR spectrum of HBA showed the peak at δppm 10. Computed studies [28][29][30][31] were performed for all structures of compounds with optimization, and energy minima with no constraints were imposed on the geometry of the molecules. The observation of the datafile (provided as supplementary data) indicates that bond distances and bond angles were altered in synthesized compounds compared with HB, indicating changes in polarities, dipole moment of synthesized compounds, and further changes in electron densities.…”

Section: Hb Hbnmentioning

confidence: 99%

See 2 more Smart Citations

Structural Aspects and Characterization of Synthesized Novel Schiff Base of 4- Hydroxybenzaldehyde with Anilines for Optoelectronic Properties

Prasanti,

Jha,

Kumar

et al. 2023

Preprint

View full text Add to dashboard Cite

Optical materials and organic and nonlinear molecules are the leading materials that exhibit semiconducting properties that are useful for industrial purposes in terms of their optical and electronic properties. These active organic materials developed into films are of vital importance in terms of their molecular structure, molecular properties, and electronic and optical properties compared to inorganic materials. The present article focuses on the development of thin films with the synthesis of Schiff base of 4-hydroxy benzaldehydes and substituted anilines to obtain target compounds using the green synthesis method. The formation of the Schiff base compounds was confirmed by spectral methods, infrared spectroscopy, ultraviolet spectroscopy, and proton NMR. Powdered XRD provide useful information of structure, composition and crystalline proximity of the synthesized Schiff base compounds. The optical properties of the refractive index and dielectric constant were confirmed by spectroscopic ellipsometry studies. Computational studies were performed using the Gaussian 16 package with the B3LYP method basis set 6-311++** for all molecular compounds to confirm the molecular structures, optimized geometry, and electronic and optical properties.The insights of these properties are best visualized in terms of quantum mechanical descriptors that occur due to changes in electron density. Studies of these Schiff base compounds with nitro groups proved to exhibit optical properties and behave as excellent organic semiconducting materials with an energy gap of 3.08 eV ; refractive index of 2.074, and dielectric constant of 4.303.

show abstract