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Search Results (5)

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Keywords = polynitro compounds

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28 pages, 4032 KiB  
Article
Synthesis and Characterization of a Water-Soluble Nanomaterial via Deep Nitration of Light Fullerene C60
by Natalya Kulenova, Marzhan Sadenova, Bagdat Azamatov, Bauyrzhan Maratuly, Nikolay Charykov, Mikhail Arshinov and Nail Beisekenov
Inorganics 2025, 13(7), 212; https://doi.org/10.3390/inorganics13070212 - 24 Jun 2025
Viewed by 404
Abstract
A direct non-catalytic synthesis of a new water-soluble polynitro-hydroxylated fullerene derivative, C60(NO2)18(OH)2, was carried out using a mixture of concentrated nitric and sulfuric acids. The resulting poly-nitro adduct was comprehensively characterized by elemental C-H-N analysis, [...] Read more.
A direct non-catalytic synthesis of a new water-soluble polynitro-hydroxylated fullerene derivative, C60(NO2)18(OH)2, was carried out using a mixture of concentrated nitric and sulfuric acids. The resulting poly-nitro adduct was comprehensively characterized by elemental C-H-N analysis, energy-dispersive X-ray spectroscopy, infrared (IR) and electron spectroscopy, nuclear magnetic resonance (NMR), high-performance liquid chromatography (HPLC), and thermogravimetric analysis (TGA). A detailed investigation of the physicochemical properties of aqueous solutions of C60(NO2)18(OH)2 demonstrated that the synthesized compound is a previously undescribed mixed polynitro-hydroxyl adduct of light fullerene C60, featuring a high degree of nitration (18 nitro groups per fullerene core). The composition and structure of the adduct were confirmed by spectroscopic and refractometric analyses. In terms of redox behavior, the compound exhibits significant reducing and antioxidant properties. These physicochemical characteristics suggest the potential of C60(NO2)18(OH)2 for further development as a biocompatible nanomaterial suitable for medical applications. Full article
(This article belongs to the Special Issue Development of Nanocomposite Materials for Environmental Remediation and Biomedical Application)
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18 pages, 12292 KiB  
Article
Role of -SF5 Groups in Modulating the Stability and Energy Characteristics of Fluorinated Molecules
by Jelena Tamuliene and Jonas Sarlauskas
Energies 2025, 18(7), 1841; https://doi.org/10.3390/en18071841 - 5 Apr 2025
Viewed by 523
Abstract
In this paper, we present our investigations into the detonation performance and stability variations caused by replacing the -CF3 or -OCF3 group with -SF5. The widely applied DFT B3LYP/cc-pVTZ approach was employed to evaluate the HOMO–LUMO gap, cohesive energy, [...] Read more.
In this paper, we present our investigations into the detonation performance and stability variations caused by replacing the -CF3 or -OCF3 group with -SF5. The widely applied DFT B3LYP/cc-pVTZ approach was employed to evaluate the HOMO–LUMO gap, cohesive energy, chemical hardness, and electronegativity. Based on these parameters, we predict the changes in chemical and thermal stability resulting from the inclusion of -SF5 instead of -CF3 or -OCF3. Our results indicate that, in some cases, the density of fluorine-containing nitro compounds decreases due to the presence of the pentafluorosulfanyl group. Additionally, machine learning techniques were used to determine the detonation pressure and velocity of fluorine–sulfur-containing compounds. Our findings suggest that fluorine-containing nitro compounds exhibit better detonation performance and stability than fluorine–sulfur-containing ones. Overall, the pentafluorosulfanyl groups inclusion of aromatic polynitro compounds improved neither the stability nor the detonation properties such as -CF3 or -OCF3 groups. Full article
(This article belongs to the Special Issue Advanced Energy Materials: Innovations and Challenges)
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13 pages, 1982 KiB  
Article
Detection of Polynitro Compounds at Low Concentrations by SERS Using Ni@Au Nanotubes
by Alena Shumskaya, Elizaveta Kozhina, Sergey Bedin, Stepan Andreev, Ekaterina Kulesh, Alexander Rogachev, Maxim Yarmolenko, Ilya Korolkov, Artem Kozlovskiy, Maksim Zdorovets, Viktor Belyaev, Valeriya Rodionova and Larissa Panina
Chemosensors 2022, 10(8), 306; https://doi.org/10.3390/chemosensors10080306 - 2 Aug 2022
Cited by 6 | Viewed by 2457
Abstract
The identification of high-energy compounds in trace concentrations not only in the laboratory, but also in field conditions is of particular interest. The process should be clear, easy, and well-recognizable. We formed SERS-active substrates by using elongated nickel nanotubes synthesized by electrochemical deposition [...] Read more.
The identification of high-energy compounds in trace concentrations not only in the laboratory, but also in field conditions is of particular interest. The process should be clear, easy, and well-recognizable. We formed SERS-active substrates by using elongated nickel nanotubes synthesized by electrochemical deposition in the pores of ion-track membranes and coated them with gold for further application in the detection of low concentrations of analytes. The substrates were characterized using various techniques to determine the morphology of the nanotubes and modifying gold layer. The possibility of obtaining two types of gold-layer morphology was shown: in the form of a smooth film up to 20–50 nm thick and a coating with nanoneedles up to 250 nm long. The electric fields around the nanotubes were simulated at a laser wavelength of 532 nm to demonstrate the influence of the gold-layer morphology on the field distribution. The “needle” morphology was chosen to form the most effective SERS-active substrates for detection of low concentrations of aromatic polynitro compounds. The spectral peaks were identified by comparing the model and experimental Raman spectra at concentrations down to 10−5 M. Within this limit, all peaks (“fingerprints” of the substance) were clearly distinguishable. Full article
(This article belongs to the Special Issue Innovative Materials, Technologies, and Sensors)
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5 pages, 889 KiB  
Short Note
Potassium (3-Methyl-2-oxido-1,2,5-oxadiazol-4-yl)dinitromethanide
by Egor S. Zhilin, Dmitry B. Meerov and Leonid L. Fershtat
Molbank 2021, 2021(4), M1301; https://doi.org/10.3390/M1301 - 26 Nov 2021
Viewed by 2414
Abstract
Furoxan derivatives enriched with explosophoric functionalities are promising compounds in the preparation of novel energetic materials. Herein, a previously unknown potassium (3-methyl-2-oxido-1,2,5-oxadiazol-4-yl)dinitromethanide (also referred to as potassium 4-dinitromethyl-3-methylfuroxanate) was synthesized via tandem nitration-reduction reactions of an available (furoxanyl)chloroxime. The structure of the synthesized [...] Read more.
Furoxan derivatives enriched with explosophoric functionalities are promising compounds in the preparation of novel energetic materials. Herein, a previously unknown potassium (3-methyl-2-oxido-1,2,5-oxadiazol-4-yl)dinitromethanide (also referred to as potassium 4-dinitromethyl-3-methylfuroxanate) was synthesized via tandem nitration-reduction reactions of an available (furoxanyl)chloroxime. The structure of the synthesized compound was established by elemental analysis, IR, 1H, 13C and 14N NMR spectroscopy. Thermal stability and mechanical sensitivity of the prepared compound toward impact and friction were experimentally determined. Full article
(This article belongs to the Section Organic Synthesis and Biosynthesis)
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21 pages, 168 KiB  
Review
Stable Spirocyclic Meisenheimer Complexes
by Rabih O. Al-Kaysi, Iluminada Gallardo and Gonzalo Guirado
Molecules 2008, 13(6), 1282-1302; https://doi.org/10.3390/molecules13061282 - 9 Jun 2008
Cited by 39 | Viewed by 20560
Abstract
Meisenheimer complexes are important intermediates in Nucleophilic Aromatic Substitution Reactions (SNAr). They are formed by the addition of electron rich species to polynitro aromatic compounds or aromatic compounds with strong electron withdrawing groups. It is possible to distinguish two types of [...] Read more.
Meisenheimer complexes are important intermediates in Nucleophilic Aromatic Substitution Reactions (SNAr). They are formed by the addition of electron rich species to polynitro aromatic compounds or aromatic compounds with strong electron withdrawing groups. It is possible to distinguish two types of Meisenheimer or σ-complexes, the σHcomplex or σX-complex (also named ipso), depending on the aromatic ring position attacked by the nucleophile (a non-substituted or substituted one, respectively). Special examples of σX- or ipso-complexes are formed through intermediate spiro adducts, via intramolecular SNAr. Some of these spirocyclic Meisenheimer complexes, a type of σXcomplex, are exceptionally stable in solution and/or as solids. They can be isolated and characterized using X-ray, and various spectroscopic techniques such as NMR, UV-Vis, IR, and fluorescence. A few of these stable spirocyclic Meisenheimer complexes are zwitterionic and exhibit interesting photophysical and redox properties. We will review recent advances, synthesis and potential applications of these stable spirocyclic Meisenheimer complexes. Full article
(This article belongs to the Special Issue Spiro Compounds)
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