Syntheses, Crystal Structures, Optical and Antibacterial Properties of Two Organic-Inorganic Hybrids Containing Pyridine-Substituted Triphenylphosphonium and Tetrachlorocobaltate/Copperate(Ii) Anion

Zong, Wang; Chen, Ke-Lai; Jiang, Xin-Yi; Li, Yuting; Huang, Lin; Ni, Chun-Lin; Li, Yan-Xian; Liang, Juan; Zhang, Yao-Mou

doi:10.2139/ssrn.4343206

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“…The band observed around 325 nm is probably caused by π→π* transition between the benzyl rings and nitro groups in the [4NO 2 Bz-4NH 2 Py] + cation [52]. The main absorption band near 406 nm may be attributed to d→d* transition of the [CuCl 4 ] 2anions [53]. The optical properties of crystals can be described by calculating the bandgap energy using formula (αhν) 1/n = B(hν -Eg) where α is the absorption coe cient, h is Planck's constant, ν is the frequency, B is a constant, and Eg is the semiconductor forbidden bandwidth, n is an exponent that depends on the mechanism of inter-band leaps, with n = 2 and 1/2 for indirect and direct leaps, respectfully.…”

Section: Uv-vis Spectrummentioning

confidence: 99%

Preparation, crystal structure, optical properties, Hirshfeld surface analysis and antimicrobial activity of 4-nitrobenzyl-4-aminopyridinium tetrachlorocuprate(II)

Li,

Huang,

et al. 2024

Preprint

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In this study, we have synthesized a novel organic-inorganic hybrid crystal 4-nitrobenzyl-4-aminopyridinium tetrachlorocuprate(II) [4NO2Bz-4NH2Py]2[CuCl4](1). The single-crystal X-ray diffraction analysis revealed that the crystal belongs to the triclinic space group P–1, and consists of four [4NO2Bz-4NH2Py]+ cations and two [CuCl4]2– anions. O···π, C–H∙∙∙π, π∙∙∙π, N–H∙∙∙Cl, C–H∙∙∙Cl, C–H∙∙∙O, and C–H∙∙∙N weak interactions in the crystals play an important role in facilitating the stacking and stabilization of the crystals. The different types of contribution have been quantified by the calculation of Hirschfeld surface percentage and depicted by fingerprint plots. The bulk phase purity, homogeneity, and morphology of the desired compound were checked using powder XRD, and SEM-EDX analysis. Vibrational, optical, and thermal properties were investigated by FT-IR, UV-Vis spectrum, and TG-DTA measurements of [4NO2Bz-4NH2Py]2[CuCl4](1), respectively. The low energy gap (2.41 eV) suggested that the crystal was a suitable semiconductor material for optical applications. In addition, the compound presented good bactericidal activity against E. coli and S. aureus.

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Section: Uv-vis Spectrummentioning

confidence: 99%