Electric and optical properties of some new functional lower-rim-substituted calixarene derivatives in thin films

Leontie, Liviu; Danac, Ramona; Cârlescu, Aurelian; Doroftei, C.; Rusu, G.I.; Tiron, Vasile; Gurlui, Silviu; Șușu, Oana

doi:10.1007/s00339-018-1784-1

Cited by 8 publications

(6 citation statements)

References 38 publications

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“…For the first heating ( Figure 3 ), in the temperature range of 20–60 °C, a deviation from the law (3) of the electrical conductivity of the samples can be found, and this may be due to the influence of the environmental humidity or other (chemical) factors [ 49 , 50 , 51 , 52 ]. Practically, the characteristics do not change considerably due to repeated heating and cooling.…”

Section: Resultsmentioning

confidence: 99%

Structural, Electrical and Optical Properties of Pyrrolo[1,2-i][1,7] Phenanthroline-Based Organic Semiconductors

et al. 2022

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This work reports a study on structural, electrical and optical properties of some recently synthesized pyrrolo[1,2-i][1,7] phenanthrolines derivatives in thin films. The thin films were deposited onto glass substrates by spin coating technique, using chloroform as solvent. The obtained films exhibited a polycrystalline structure with an n–type semiconductor behavior after heat treatment in the temperature range 293–543 K, specific to each sample. The thermal activation energy lies between 0.68 and 0.78 eV, while the direct optical band gap values were found in the range 4.17–4.24 eV. The electrical and optical properties of the investigated organic semiconductor films were discussed in relation to microstructural properties, determined by the molecular structure. The investigated organic compounds are promising for applications in organic optoelectronics and nanoelectronics.

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Section: Resultsmentioning

confidence: 99%

Structural, Electrical and Optical Properties of Pyrrolo[1,2-i][1,7] Phenanthroline-Based Organic Semiconductors

et al. 2022

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“…The optical properties of calixarene, PABA, and calix-PABA solution were studied using Agilent 8453 UV-Visible spectroscopy with a wavelength ranging from 190 to 1100nm. The absorption coefficient, α of the sample solution, was determined using the approximate expression 1 (Leontie et al, 2018)…”

Section: Optical Measurementmentioning

confidence: 99%

“…where l is the length of the cuvette, 1cm, and I0 and I are the intensity of the incident and emergent beams. The effect of reflection of photon energies, hν that is less than the optical band gap, is neglected (Leontie et al, 2018).…”

Section: Optical Measurementmentioning

confidence: 99%

Energy Band Gap Investigation using First Principle Simulation and Tauc Plot Method of Calixarene and Calixarene-Drug Inclusion Complexes

Abd Karim,

Supian,

Wong

et al. 2023

JSML

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Calixarene has attract attention especially in drug delivery and drug sensor systems due to its peculiar properties, such as functional diversity of the upper and lower rims, hydrophobic cavity, chemical stability, zero toxicity, and controlled release profile. These properties make this supramolecule an ideal candidate for drug encapsulation and sensors. P-aminobenzoic acid (PABA) is a drug in sunscreen which is widely used as a ultraviolet (UV) filter and sunburn protector to protect against solar rays. The calix[n]arene (n=4,6,8) and the host-guest interaction of calix[n]-PABA were characterized using UV–visible spectroscopy and the first-principles pseudopotential method, based on the density functional theory (DFT) and the plane-wave method as implemented into Quantum Espresso code. The DFT calculation is performed to find the estimated calix[n]arene and calix[n]arene-drug band gap. The band gap calculated using DFT has usually underestimated the insulating materials for about 30 – 50% of the experimental gap values, depending on the selected type of exchange-correlation chosen. The optical band gap value of calix[n]arene and calix[n]-PABA obtained from the UV-Visible absorption spectrum estimated using the Tauc plot are then compared with the band gap computed by DFT. The band gap narrowing shown by the complexes indicates that calix[n]arene and PABA reacted. Besides, calix[8]arene is the most promising host in this study since the calix[8]-PABA complex has the most significant binding energy. The band gaps and binding energy results will become a reference for future research in calixarene and calixarene-drug material.

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“…Table 1 shows the bandgap values of calixarenes from other studies. These derivatives were widely used in different applications, such as the fabrication of organic light-emitting diodes, organic optoelectronic devices, solar cells, photocatalysts, and thermistors (Leontie et al, 2018;Sharma et al, 2020;Wang et al, 2020). Meanwhile, the conductivity, the threshold of 3.0 eV was used to estimate the conductivity of THC4 (Wu et al, 2020).…”

Section: The Dft Studymentioning

confidence: 99%

The Molecular Behaviors of Calixarenes at the Air-Water Interface: Density Functional Theory, Surface Pressure, Potential, and Effective Dipole Moment

Supian

Yi²,

Karim³

et al. 2022

MJS

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This study examined the behaviors of Langmuir-Blodgett ultrathin calixarene films at the air-water interface. The Langmuir trough was used to estimate the surface pressure, surface potential, and effective dipole moment of two calixarenes, namely, calix[4]arene (THC4) and calix[8]arene (THC8). The band gap was determined using the density functional theory (DFT). The DFT simulation gave a band gap of 2.28 eV for THC4, confirming that THC4 was an insulator. The surface pressure isotherms of THC4 and THC8 yielded the expected molecular behavior from the gaseous to the solid phases. THC4 and THC8 showed a perpendicular and a parallel orientation in the air-water subphase, respectively. The ∆Vmax values of TCH4 and THC 8 were 205 mV and 141mV, respectively, and their µ﬩max values were 0.147 D and 0.088 D, respectively.

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Electric and optical properties of some new functional lower-rim-substituted calixarene derivatives in thin films

Cited by 8 publications

References 38 publications

Structural, Electrical and Optical Properties of Pyrrolo[1,2-i][1,7] Phenanthroline-Based Organic Semiconductors

Structural, Electrical and Optical Properties of Pyrrolo[1,2-i][1,7] Phenanthroline-Based Organic Semiconductors

Energy Band Gap Investigation using First Principle Simulation and Tauc Plot Method of Calixarene and Calixarene-Drug Inclusion Complexes

The Molecular Behaviors of Calixarenes at the Air-Water Interface: Density Functional Theory, Surface Pressure, Potential, and Effective Dipole Moment

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