A novel mononuclear zinc complex [ZnL(Phen)(H2O)]·H2O containing the mixed ligands of Phen (Phen = 1,10-phenanthroline) and 3-hydroxy-2-methylquinoline-4-carboxylic acid (HL) was prepared by hydrothermal synthesis and its crystal structure was characterized by X-ray single-crystal diffraction method. The title complex crystallizes in the orthorhombic systems and forms monomeric units. The molecules in the title complex are connected through the interactions of hydrogen-bonding and ????? interactions to give a three-dimensional (3D) supramolecular structure. The fluorescence result discovers a wide emission band in the violet blue region. Time-dependent density functional theory (TDDFT) calculations reveal that this emission can be attributed to ligand-to-ligand charge transfer (LLCT). Solid-state diffuse reflectance shows there is a wide optical band gap.
Download full-text PDF |
Source |
|---|
Publication Analysis
Top Keywords
Similar Publications
Backbone assignment of the N-terminal domain of the A subunit of the Bacillus cereus GerI germinant receptor.
Biomol NMR Assign
January 2025
Department of Molecular Biology and Biophysics, University of Connecticut Health Center, Farmington, CT, 06030, USA.
The nutrient germinant receptors (GRs) in spores of Bacillus species consist of a cluster of three proteins- designated A, B, and C subunits- that play a critical role in initiating the germination of dormant spores in response to specific nutrient molecules. The Bacillus cereus GerI GR is essential for inosine-induced germination; however, the roles of the individual subunits and the mechanism by which germinant binding activates GR function remain unclear. In this study, we report the backbone chemical shift assignments of the N-terminal domain (NTD) of the A subunit of GerI (GerIA).
View Article and Find Full Text PDFInvestigating the decomposition mechanism of DNAN/DNB cocrystal explosive under high temperature using ReaxFF/lg molecular dynamics simulations.
J Mol Model
January 2025
Shanxi Jiangyang Chemical Limited Company, Taiyuan, 030041, Shanxi, China.
Context: DNAN/DNB cocrystals, as a newly developed type of energetic material, possess superior safety and thermal stability, making them a suitable alternative to traditional melt-cast explosives. Nonetheless, an exploration of the thermal degradation dynamics of the said cocrystal composite has heretofore remained uncharted. Consequently, we engaged the ReaxFF/lg force field modality to delve into the thermal dissociation processes of the DNAN/DNB cocrystal assembly across a spectrum of temperatures, encompassing 2500, 2750, 3000, 3250, and 3500 K.
View Article and Find Full Text PDFGuest-Molecule-Induced Glass-Crystal Transition in Organic-Inorganic Hybrid Antimony Halides.
Inorg Chem
January 2025
College of Chemistry and Materials Science, College of Environmental and Resource Sciences, Fujian Provincial Key Laboratory of Advanced Materials Oriented Chemical Engineering, Fujian Normal University, Fuzhou 350007, China.
The glassy state of inorganic-organic hybrid metal halides combines their excellent optoelectronic properties with the outstanding processability of glass, showcasing unique application potential in solar devices, display technologies, and plastic electronics. Herein, by tailoring the organic cation from -phenylpiperazine to dimethylamine gradually, four types of zero-dimensional antimony halides are obtained with various optical and thermal properties. The guest water molecules in crystal (-phenylpiperazine)SbCl·Cl·5HO lead to the largest distortion of the Sb-halogen unit, resulting in the red emission different from the yellow emission of other compounds.
View Article and Find Full Text PDFB-doped nano-hydroxyapatite facilitates proliferation and differentiation of osteoblasts.
J Orthop Surg Res
January 2025
Xuzhou Medical University Affiliated Stomatology Hospital, Xuzhou, 221002, Jiangsu Province, China.
Purpose: We aimed to explore the mechanism by which Boron-doped nano-hydroxyapatite (B-nHAp) facilitates the proliferation and differentiation of osteoblasts through controlled release of B.
Methods: B-nHAp characterization was accomplished by means of X-ray diffraction, scanning electron microscopy, inductively coupled plasma mass spectrometry, and transmission electron microscopy. Human bone marrow mesenchymal stem cells (hBMSCs) were subjected to flow cytometry, alizarin red S staining, and cell counting kit-8 assay for proliferation and differentiation determination.
Designing a terahertz optical sensor based on helically twisted photonic crystal fiber for toxic gas sensing.
Sci Rep
January 2025
Department of Physics, Shiraz university of technology, Shiraz, Iran.
A novel helically twisted photonic crystal fiber (PCF) is designed and proposed for sensing toxic gases with refractive indices ranging from 1.00 to 1.08.
View Article and Find Full Text PDFWant AI Summaries of new PubMed Abstracts delivered to your In-box?
Enter search terms and have AI summaries delivered each week - change queries or unsubscribe any time!