Facile one-pot synthesis and in silico study of new heterocyclic scaffolds with 4-pyridyl moiety: Mechanistic insights and X-ray crystallographic elucidation

Abdelrazek, Fathy M.; Zaki, Magdi E.A.; Al-Hussain, Sami A.; Farag, Basant; Hebishy, Ali M.; Abdelfattah, Mohamed S.; Hassan, Safaa M.; El-Farargy, Ahmed F.; Iovkova, Lyuba; Mross, David; Gomha, Sobhi M.

doi:10.1016/j.heliyon.2024.e29221

Cited by 2 publications

(1 citation statement)

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“…The suitable crystals of Complexes 1 – 3 have been chosen and performed on the CCD diffractometer for X-ray crystallographic analysis. During data collection, the crystal was kept at 296(2)K. Using Olex2, the structures are solved by using the ShelXT structural solution of the inherent phase and refined using the ShelXL optimization package of least square optimization [ 17 , 18 ]. The crystallographic data of Cd-based Complexes 1 – 3 and the selected bond lengths and bond angles are listed in Table S1 , Table S2( 1 ) , Table S3( 2 ) , and Table S4( 3 ) , respectively.…”

Section: Methodsmentioning

confidence: 99%

Highly Sensitive Fluorescent Sensing for Nitrobenzene of CdII Complexes Based on Three Isomers and a Bis-Imidazole Ligand

Yang,

Liu,

Ren

et al. 2024

Molecules

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Detection of nitro pollutants is an important topic in environmental protection. A total of 3 Cd (II) complexes (1–3) based on 3 soft organic isomers, n-(3,5-dicarboxylato benzyloxy) benzoic acid (n = 2, 3 or 4-H3DBB), and a linear N-donor ligand, 3-bis(imidazole-l-ylmethyl) benzene (3-bibz), have been synthesized hydrothermally. Structural diversity of Complexes 1–3 displays the architectural 2D or 3D change: Complex 1 exhibits a 2D network featuring tri-nuclear metal units, Complex 2 is a 3D framework based on similar tri-nuclear metal units, and Complex 3 shows a 3D network with binuclear units. Fluorescent sensing properties exhibited in all these complexes have been discovered to detect nitrobenzene (NB) selectively and sensitively. In particular, Complex 3 possesses high sensitivity for NB with the lowest detection limit of 1.15 × 10−10 M. The results of the theoretical calculation verified the fluorescence detection mechanism of NB by these Cd-based complexes. Therefore, these Cd-based complexes might be used as excellent luminescent sensors for NB.

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Section: Methodsmentioning

confidence: 99%