Crystal structure, spectroscopic studies and non‐linear optical properties of 2‐amino‐3‐nitropyridinium trichloroacetate

Cheng, Song; Zhou, Yanliang; Sun, Zhihua; Chen, Tianliang; Zhang, Shuquan

doi:10.1002/crat.201500056

Cited by 11 publications

(4 citation statements)

References 25 publications

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“…According to the UV–vis–near-IR (NIR) diffuse-reflectance spectra (Figure c,d), the experimental optical band gap ( E g ) values of I and II are 2.43 and 2.81 eV, respectively, corresponding to the shortest cutoff wavelength (λ cutoff ) of 441 nm for II . The λ cutoff value of II is similar or blue-shifted to that of some closely related compounds containing the same 2-amino-3-nitropyridinium cation, for example, 2-amino-3-nitropyridinium trichloroacetate (λ cutoff = 431 nm), 2-amino-3-nitropyridinium bromide (λ cutoff = 436 nm), and 2-amino-3-nitropyridinium iodide (λ cutoff = 490 nm) . Besides, the IR spectra (Figure S2) also verify the presence of functional groups.…”

supporting

confidence: 53%

Rational Design of Noncentrosymmetric Organic–Inorganic Hybrids with a π-Conjugated Pyridium-Type Cation for High Nonlinear-Optical Performance

Zhang,

Liang

et al. 2023

Inorg. Chem.

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Organic−inorganic hybrid materials have attracted increasing attention due to their unique superiority by combining the features of organic parts with inorganic parts. Herein, two organic−inorganic hybrid nonlinear-optical crystals,, were successfully synthesized in aqueous solution by selecting 2amino-3-nitropyridine as the cation and different anions of [IO 3 ] − and [HSO 4 ] − . The two compounds crystallized in the noncentrosymmetric space groups of P2 1 and P2 1 2 1 2 1 , respectively. I displays second-harmonic-generation (SHG) effects of 2.4 × KDP (KH 2 PO 4 ) and a large birefringence (Δn cal ∼ 0.22). Moreover, II exhibits a stronger SHG response of 5.2 × KDP, an enhanced band gap (2.81 eV), as well as a large birefringence (Δn cal ∼ 0.25). This work points out a new feasible path for the rational design of high-performance organic−inorganic hybrid materials.

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supporting

confidence: 53%

Rational Design of Noncentrosymmetric Organic–Inorganic Hybrids with a π-Conjugated Pyridium-Type Cation for High Nonlinear-Optical Performance

Zhang,

Liang

et al. 2023

Inorg. Chem.

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“…Also, it forms zigzag chains (Fig. 4), as seen in 2-amino-3-nitropyridinium trichloroacetate (Song et al, 2015) or in a metal ion-ring structure complex (García-Terá n et al, 2006). In Z-Am, the ammonium ions line up/interact with the nucleobases and water in such a way as to form a large circular hydrogen-bonding network (Fig.…”

Section: Tablementioning

confidence: 99%

Crystal structures of deprotonated nucleobases from an expanded DNA alphabet

et al. 2016

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Reported here is the crystal structure of a heterocycle that implements a donor-donor-acceptor hydrogen-bonding pattern, as found in the Z component [6-amino-5-nitropyridin-2(1H)-one] of an artificially expanded genetic information system (AEGIS). AEGIS is a new form of DNA from synthetic biology that has six replicable nucleotides, rather than the four found in natural DNA. Remarkably, Z crystallizes from water as a 1:1 complex of its neutral and deprotonated forms, and forms a `skinny' pyrimidine-pyrimidine pair in this structure. The pair resembles the known intercalated cytosine pair. The formation of the same pair in two different salts, namely poly[[aqua(μ-2-amino-6-oxo-3-nitro-1,6-dihydropyridin-1-ido)sodium]-6-amino-5-nitropyridin-2(1H)-one-water (1/1/1)], denoted Z-Sod, {[Na(CHNO)(HO)]·CHNO·HO}, and ammonium 2-amino-6-oxo-3-nitro-1,6-dihydropyridin-1-ide-6-amino-5-nitropyridin-2(1H)-one-water (1/1/1), denoted Z-Am, NH·CHNO·CHNO·HO, under two different crystallization conditions suggests that the pair is especially stable. Implications of this structure for the use of this heterocycle in artificial DNA are discussed.

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“…The demand for new nonlinear optical materials is due to the revolution in laser and electro-optic devices. NLO materials are also used in the areas of telecommunications, information processing, optical computing, photonics, color display, highdensity optical recording, and medical diagnostics due to their potential applications as optical switches, modulators, frequency converters, and optical signal processing components [10][11][12][13][14].…”

Section: Introductionmentioning

confidence: 99%

A Facile Growth, Optical Behavior of Organic Nonlinear Optical Crystal—4-Bromo-2-Methylbenzonitrile

Pandurengan

et al. 2023

Preprint

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By slowly evaporating 4-bromo-2-methylbenzonitrile at room temperature, it was possible to make a single organic nonlinear optical crystal. The grown crystal's crystalline nature was verified, and the unit cell characteristics are provided as a = 4.08Å, b = 6.61 Å, c = 28.93Å, α = 90º, β = 90º, γ = 90º. The functional groups of the crystal produced were identified using the FTIR and FT-Raman spectra. The UV cutoff wavelength is found at 221.6 nm, and the transparency nature of the crystal was analyzed in the optical studies. The band gap of the grown crystal was estimated using the Taucs’ plot. The violet and red emissions of photoluminescence are discussed. A high dielectric constant was received at a low frequency. The TG/DTA curve shows that the grown crystal was stable up to 125.59 ºC. The Kurtz-Perry powder technique was applied to confirm the Second Harmonic Generation's (SHG) nature. By using the agar diffusion method, the antibacterial property of the grown 4B2MBN crystal was determined.

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Crystal structure, spectroscopic studies and non‐linear optical properties of 2‐amino‐3‐nitropyridinium trichloroacetate

Cited by 11 publications

References 25 publications

Rational Design of Noncentrosymmetric Organic–Inorganic Hybrids with a π-Conjugated Pyridium-Type Cation for High Nonlinear-Optical Performance

Rational Design of Noncentrosymmetric Organic–Inorganic Hybrids with a π-Conjugated Pyridium-Type Cation for High Nonlinear-Optical Performance

Crystal structures of deprotonated nucleobases from an expanded DNA alphabet

A Facile Growth, Optical Behavior of Organic Nonlinear Optical Crystal—4-Bromo-2-Methylbenzonitrile

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