Theoretical insights into the nonlinear optical properties of cyclotriphosphazene (P3N3Cl6), tris(4–hydroxyphenyl) ethane and their various inorganic–organic hybrid derivatives

Basharat, Majid; Hadji, Djebar

doi:10.1007/s10853-022-07088-w

Cited by 16 publications

(3 citation statements)

References 79 publications

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“…A similar behavior is observed for polaronic state (Th*), where the minimum energy gap is seen for 9Th* (4.00 eV) with the maximum hyperpolarizability value of 2.7 × 10 4 au (see Figure ). The similar observation (inverse relation) is reported in some recent papers. − However, in certain cases, a direct relationship between hyperpolarizability and energy gap is also obtained. − …”

Section: Resultssupporting

confidence: 85%

Enhancement in Nonlinear Optical Response of Oligothiophenes by Induction of Polarons

Ejaz

Sarfaraz

Ayub

2023

ACS Appl. Electron. Mater.

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In this study, the electronic and nonlinear optical properties of neutral ((nTh) and polaronic states (nTh*) of oligothiophenes are studied. Electronic properties are evaluated through HOMO−LUMO gap, ionization potential (IP), and electronic affinity (EA). The results of global reactivity descriptors also indicate the stability of nTh*. The linear and nonlinear optical properties are evaluated through the polarizability and static and dynamic hyperpolarizabilities. The polaronic states of these polymers show high hyperpolarizability (β o ) up to 2.7 × 10 4 au as compared to neutral counterparts. This remarkable increase is mainly due to low transition energies arising from the induction of polaron. The NLO response of polaron-based oligothiophenes are much better than their neutral counterparts. Furthermore, the frequency dependent calculations for polaronic state of oligothiophenes (nTh*) are also performed at commonly used laser frequencies of 532 and 1064 nm. The results of frequency dependent calculations reveal that the values of dynamic hyperpolarizability are more pronounced than static hyperpolarizability. Time-dependent calculations show enough transparency of polaronic state of nTh* in the UV region, which reveals that the materials show good NLO response and could be used in the field of optoelectronics.

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Section: Resultssupporting

confidence: 85%

Enhancement in Nonlinear Optical Response of Oligothiophenes by Induction of Polarons

Ejaz

Sarfaraz

Ayub

2023

ACS Appl. Electron. Mater.

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“…2e), two main peaks around 135.0 and 133.9 eV are ascribed to P 2p 1/2 and P 2p 3/2 in the cyclotriphosphazene ring. 36 The N 1s spectra (Fig. 2f) of OBCP all have two typical peaks at around 399.7 and 400.5 eV, which can be attributed to pyridine N (C]N-C) and cyclotriphosphazene N (P]N) structures.…”

Section: Composition and Structurementioning

confidence: 99%

Polarization engineering of porous organic polymers for superior photocatalytic synthesis of disulfides and CO₂reduction

Huang

Mao

et al. 2022

J. Mater. Chem. A

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“…In the quest for new NLOphores, we came upon the inorganic–organic hybrid building unit hexachlorocyclotriphosphazene (HCCP). This unit features a partially delocalized cyclotriphosphazene (CTP) ring comprised of alternating nitrogen and phosphorus atoms and exhibits proven NLO responses. − The P–N bonds in CTP exhibit polarization due to the higher electronegativity of nitrogen, resulting in δ+ charges on the nitrogen centers and δ− charges on the phosphorus centers within the N3P3 ring system. The alternating arrangement of these point charges (δ+/δ−) along the vertices of a regular hexagon ring gives rise to the six-armed octupole chromophore unit for the CTP core. , This gives rise to a better possibility of a stronger NLO response owing to a substantial octupolar interaction in the chromophore upon optical excitation.…”

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confidence: 99%

Octupolar Cyclotriphosphazene-Cored Self-Standing Covalent Organic Framework Membranes as Nonlinear Optical Materials: Impact of Linkage Types and Material Forms

Bommakanti,

Nath,

Panda

et al. 2024

J. Phys. Chem. Lett.

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Conjugated and processable self-standing vinylene-linked covalent organic framework membranes (COFMs) are highly demanding for photonics and optoelectronics. In this work, we have fabricated the first cyclotriphosphazene (CTP) cored vinylene-linked self-standing COFM (CTP-PDAN). For comparison purposes, we have successfully fabricated the imine-linked congener (CTP-PDA). Leveraging the inherent nonlinear optical (NLO) response of the CTP core, both membranes were directly mounted to evaluate NLO parameters using the open-aperture (OA) Z-scan technique. Direct measurement of NLO responses on membranes is advantageous and free from solvent and scattering effects, making it a more practical approach compared to the conventional dispersion mode. The OA Z-scan transmission yields a reverse saturable absorption signature exhibiting a higher NLO absorption coefficient (β) of 58.37 cm/GW for CTP-PDAN, compared to that of the imine-linked CTP-PDA COFM (β = 8.5 cm/GW). These results can be correlated to the efficient conjugation through the vinylene linkage in CTP-PDAN compared to the imine linked congener.

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Theoretical insights into the nonlinear optical properties of cyclotriphosphazene (P3N3Cl6), tris(4–hydroxyphenyl) ethane and their various inorganic–organic hybrid derivatives

Cited by 16 publications

References 79 publications

Enhancement in Nonlinear Optical Response of Oligothiophenes by Induction of Polarons

Enhancement in Nonlinear Optical Response of Oligothiophenes by Induction of Polarons

Polarization engineering of porous organic polymers for superior photocatalytic synthesis of disulfides and CO₂reduction

Octupolar Cyclotriphosphazene-Cored Self-Standing Covalent Organic Framework Membranes as Nonlinear Optical Materials: Impact of Linkage Types and Material Forms

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Theoretical insights into the nonlinear optical properties of cyclotriphosphazene (P3N3Cl6), tris(4–hydroxyphenyl) ethane and their various inorganic–organic hybrid derivatives

Cited by 16 publications

References 79 publications

Enhancement in Nonlinear Optical Response of Oligothiophenes by Induction of Polarons

Enhancement in Nonlinear Optical Response of Oligothiophenes by Induction of Polarons

Polarization engineering of porous organic polymers for superior photocatalytic synthesis of disulfides and CO2reduction

Octupolar Cyclotriphosphazene-Cored Self-Standing Covalent Organic Framework Membranes as Nonlinear Optical Materials: Impact of Linkage Types and Material Forms

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Polarization engineering of porous organic polymers for superior photocatalytic synthesis of disulfides and CO₂reduction