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Fine-tuning of organic optical double-donor NLO chromophores with DA-supported functional groups.

ABSTRACT: New strategic chromophores with updated fine-tuning of previously reported BLD1 and BLD3 chromophores were designed. BLD1 and BLD3 have silicon functional groups on the donor unit, and the bridge has a good chance of self-assembling, so in the present study we fine-tuned the isolating groups to the bulky cyclic alkene to improve their dipole moment and organic electro-optic (OEO) properties as well. To demonstrate the impact of cyclic alkenes on the electron-donating groups in sensible NLO chromophore designs, a thorough analysis and comparison of the chromophore synthesis, UV-Vis calculations, solvatochromic behavior of the chromophore, DFT quantum mechanical calculations, thermal stabilities, and much lower dipole moments was conducted.

SUBMITTER: Rahman A

PROVIDER: S-EPMC11002725 | biostudies-literature | 2024 Apr

REPOSITORIES: biostudies-literature

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Fine-tuning of organic optical double-donor NLO chromophores with DA-supported functional groups.

Rahman Abdul A Bo Shuhui S Ali Amjad A Ali Amjad A Zhang Lian L Alomer Suliman Yousef SY Liu Fenggang F

RSC advances 20240409 16

New strategic chromophores with updated fine-tuning of previously reported BLD1 and BLD3 chromophores were designed. BLD1 and BLD3 have silicon functional groups on the donor unit, and the bridge has a good chance of self-assembling, so in the present study we fine-tuned the isolating groups to the bulky cyclic alkene to improve their dipole moment and organic electro-optic (OEO) properties as well. To demonstrate the impact of cyclic alkenes on the electron-donating groups in sensible NLO chrom ...[more]

PMID: 38595723

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Project description:Octopolar D2-symmetric chromophores, based on the MPZnM supermolecular motif in which (porphinato)zinc(II) (PZn) and ruthenium(II) polypyridyl (M) structural units are connected via ethyne linkages, were synthesized. These structures take advantage of electron-rich meso-arylporphyrin or electron-poor meso-(perfluoroalkyl)porphyrin macrocycles, unsubstituted terpyridyl and 4'-pyrrolidinyl-2,2';6',2″-terpyridyl ligands, and modulation of metal(II) polypyridyl-to-(porphinato)zinc connectivity, to probe how electronic and geometric factors impact the measured hyperpolarizability. Transient absorption spectra obtained at early time delays (tdelay < 400 fs) demonstrate fast excited-state relaxation, and formation of a highly polarized T1 excited state; the T1 states of these chromophores display expansive, intense T1 → T n absorption manifolds that dominate the 800-1200 nm region of the NIR, long (μs) triplet-state lifetimes, and unusually large NIR excited absorptive extinction coefficients [ε(T1 → T n ) ∼ 105 M-1 cm-1]. Dynamic hyperpolarizability (βλ) values were determined from hyper-Rayleigh light scattering (HRS) measurements, carried out at multiple incident irradiation wavelengths spanning the 800-1500 nm spectral domain. The measured βHRS value (4600 ± 1200 × 10-30 esu) for one of these complexes, RuPZnRu, is the largest yet reported for any chromophore at a 1500 nm irradiation wavelength, highlighting that appropriate engineering of strong electronic coupling between multiple charge-transfer oscillators provides a critical design strategy to realize octopolar NLO chromophores exhibiting large βHRS values at telecom-relevant wavelengths. Generalized Thomas-Kuhn sum (TKS) rules were utilized to compute the effective excited-state-to-excited-state transition dipole moments from experimental linear-absorption spectra; these data were then utilized to compute hyperpolarizabilities as a function of frequency, that include two- and three-state contributions for both β zzz and β xzx tensor components to the RuPZnRu hyperpolarizability spectrum. This analysis predicts that the β zzz and β xzx tensor contributions to the RuPZnRu hyperpolarizability spectrum maximize near 1550 nm, in agreement with experimental data. The TKS analysis suggests that relative to analogous dipolar chromophores, octopolar supermolecules will be likely characterized by more intricate dependences of the measured hyperpolarizability upon irradiation wavelength due to the interactions among multiple different β tensor components.

Dataset Information

Fine-tuning of organic optical double-donor NLO chromophores with DA-supported functional groups.

Publications

Fine-tuning of organic optical double-donor NLO chromophores with DA-supported functional groups.

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