☆ 4.6 Article

Rhenium(I) complexes with NNS donor thioarylazoimidazole ligands with the cis-{Re(CO)2}+ core: Synthesis, characterization, electrochemical study and DFT calculation

JOURNAL OF MOLECULAR STRUCTURE (2013)

期刊

JOURNAL OF MOLECULAR STRUCTURE

卷 1047, 期 -, 页码 73-79

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ELSEVIER

DOI: 10.1016/j.molstruc.2013.04.046

关键词

Ruthenium dicarbonyl complex; Thioether containing NNS donor ligand; X-ray structure; Electrochemistry; DFT calculation

类别

Chemistry, Physical

资金

Department of Science and Technology, New Delhi, India [SR/FT/CS-73/2010]
CSIR, New Delhi, India

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摘要

New rhenium(I) dicarbonyl complexes containing cis-{Re(CO)(2)}(+) fragment with redox non-innocent NNS donor ligands L-1/L-2 (L-1, 1-methyl-2{(o-thiomethyl)phenylazo}imidazole and L-2, 1-ethyl-2-{(o-thioethyl)phenylazo}imidazole) having general formula cis-[ReX(CO)(3)(L-1/L-2)] (L-2) (X = Cl (1) and Br (2)) have been synthesized and characterized by both experimental and theoretical studies. The structural confirmation has been carried out for 1b. The complexes show quasireversible Re-I/Re-II oxidation and ligand based reduction in the cyclic voltammetric studies. The electronic structure and the nature of Re-CO bonding has been explained by means of DFT and NBO calculations. The spin allowed singlet-singlet electronic transitions of 1b and 2b have been calculated with TDDFT method, and the experimental spectra of the complexes have been discussed on this basis. (C) 2013 Elsevier B.V. All rights reserved.

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Article Chemistry, Physical

Synthesis and characterization of supramolecular assembly probenecid cocrystal

Yang Li, Yan Zhang, Hong Xu, Min Li, Zhen Li, Zi-yu Song, Ji-shi Chen, Yan-Jun Liu, Yong Sun, Zhao Yang

Summary: This study reports the synthesis and solid-state characterization of a new pharmaceutical cocrystal, PRO-BPE, which can enhance the solubility of the highly water-insoluble prodrug probenecid. The PRO-BPE cocrystals were found to have superior water solubility compared to pure PRO. This research provides valuable insights into improving the solubility of poorly soluble drugs.

JOURNAL OF MOLECULAR STRUCTURE (2024)

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Article Chemistry, Physical

Water soluble spiropyran for Hg2+sensing in water

Lucas G. B. Felicio, Bianca B. M. Vieira, Ivana S. Lula, Renata Diniz, Frank Alexis, Flavio B. Miguz, Frederico B. De Sousa

Summary: A novel spiropyran derivative was synthesized for heavy metals sensing in water. The results demonstrated that the new derivative can serve as a rapid, sensitive, and simple tool for detecting Hg2+ ions in water with high selectivity.

JOURNAL OF MOLECULAR STRUCTURE (2024)

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Article Chemistry, Physical

Preparation and performance of superhydrophobic surfaces with low surface energy modified attapulgite

Junqing Meng, Jie Wang, Lijuan Wang, Chunhui Lyu, Haiyan Chen, Yingpei Lyu, Baisheng Nie

Summary: Material modification with low surface energy can achieve lower surface free energy on micro-and nano-rough structures, which is crucial for developing superhydrophobic surfaces. In this study, attapulgite (APT) was modified with alkylamine, alkylammonium salt, and stearic acid, and the interaction between low surface materials and attapulgite was explained. The results showed that the hydrophobicity of APT was significantly modified by the modifiers, and the surface free energy of the composites first decreased and then increased with increasing molecular number of low surface energy monomers.

JOURNAL OF MOLECULAR STRUCTURE (2024)

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Article Chemistry, Physical

One-pot synthesis of ligand-free highly active Pd catalyst supported on NiFe spinel oxide for Suzuki-Miyaura cross-coupling reaction

Karan Goswami, Dipak Das, Parthasarathi Bera, Sounak Roy, Md. Motin Seikh, Prasanta Kumar Sinha, Arup Gayen

Summary: This work presents the development of a simple and highly active heterogeneous Pd catalyst for Suzuki-Miyaura carbon-carbon cross-coupling reaction. The NiPdFe-1 catalyst shows the best activity and stability among the prepared catalysts. It efficiently promotes the coupling reaction between aryl bromide and phenyl boronic acid under mild reaction conditions with high isolated yields.

JOURNAL OF MOLECULAR STRUCTURE (2024)

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Article Chemistry, Physical

Design, development and characterization of the Apremilast and Indomethacin coamorphous system

Ekta Pardhi, Devendra Singh Tomar, Rahul Khemchandani, Gananadhamu Samanthula, Pankaj Kumar Singh, Neelesh Kumar Mehra

Summary: The main aim of this study was to prepare a drug-drug coamorphous system to improve the physiochemical properties, solubility and stability of Apremilast and Indomethacin. Various solid-state characterization techniques were used to characterize the prepared system. Molecular level interactions were studied using molecular modeling and ATR-FTIR and 1H NMR. Solubility and dissolution studies showed the benefits of the coamorphous system. The system was found to be stable for a period of five months. Permeation study also demonstrated improved flux for both drugs compared to their crystalline forms. The coamorphous system showed anti-psoriatic and anti-melanogenic activity based on molecular docking results. Overall, the developed CAM-based supersaturated system exhibited improved physicochemical properties and physical stability.

JOURNAL OF MOLECULAR STRUCTURE (2024)

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