Synthesis, Structure, and Dielectric Properties of (3-Nitroanilinium) (18-Crown) (PF6)

Abstract

(3-Nitroanilinium) (18-crown) (PF6) (1), which is an organic-inorganic hybrid containing one-dimensional chains of hydrogen-bonded supramolecular cations, was synthesized under slow evaporation conditions and subjected to differential scanning calorimetry, temperature-dependent dielectric measurements, and variable-temperature single-crystal X-ray diffraction analysis. These analyses revealed the occurrence of a reversible structural phase transition [P21/n P21/c] at 223 K and a dielectric anomaly, which, based on the results of structural analysis and potential energy calculations, was attributed to the synergistic effect between the pendulum-like motion of the nitro group in the supramolecular cation, (3-nitroanilinium)(18-crown), and the order-disorder motion of PF6− anions.

Structural, electrical and optical studies on organic NLO single crystal of N‐benzyl‐2‐methyl‐4‐nitroaniline (BNA)

“…The UV transmission spectrum (Perkin Elmer Lambda 35 UV‐Vis spectrometer) absorbed at lower limit wavelength of 242 nm as shown in figure 9a, the UV absorption spectrum of BNA confirming the optically duality as been considering about observed at 352 and 463 nm as shown in figure 9b. [ 25,26 ]…”

“…But it was about 135.20 mV for the grown sample and hence the material validated to NLO efficiency of BNA is 3 times higher than that of referenced KDP crystal. [ 24,25 ] In case of organic crystal the output detector of MADNBA crystal is 0.75 V rather than KDP has 75 mV. It shows MADNBA exhibiting 10 times more than that of KDP.…”

The Synthesis, Structure, and Dielectric Properties of a One-Dimensional Hydrogen-Bonded DL-α-Phenylglycine Supramolecular Crown-Ether-Based Inclusion Compound

“…Given that supramolecular materials are predisposed to the formation of stable novel structures and molecular aggregates of specific functions, their diverse hybrid assemblies of functional units tend to form complex order-disorder states, which can give rise to anomalies in optical, electrical, thermal, magnetic, and other physical properties of the resulting materials [1][2][3][4][5][6][7][8][9][10][11][12][13][14][15][16]. Therefore, achieving the functional diversification and coupling of supramolecular material systems has become a research hotspot, especially in the fields of crystal engineering, nonlinear optics, and hybrid materials [17][18][19][20][21][22][23][24][25][26][27][28][29][30][31][32][33]. Host-guest crown-ether-based supramolecular structures, represented by organic amines and crown ethers, are prone to molecular rocking, proton transfers, and order-disorder transitions within the structural units of hybrid materials via intermolecular forces, hydrogen bonds, and other interactions.…”