Decomposition Mechanism Research Articles

Syntheses, Structures, and Photocatalytic and Sonocatalytic Degradations of Methyl Blue of Cu(II) and Mn(II) Coordination Polymers Based on Tri(triazole) and Dicarboxylate Ligands

Cu(II) and Mn(II) coordination polymers [Cu(ttpa)(sub)]n (Cuttpa or 1) and {[Mn2(ttpa)2(nip)2(H2O)2]·3H2O}n (Mnttpa or 2) (ttpa = tris(4-(1,2,4-triazol-1-yl)phenyl)amine, H2sub = suberic acid, nip = 5-nitroisophthalicate) were hydrothermally prepared and the structures were characterized. Cuttpa exhibited a 2D (4,4) network based on [Cu2(COO)4] dimers with upper and lower dangled ttpa ligands and a 2D → 3D polythreaded network. Mnttpa showed a 2D (4,4) network with dangled uncoordinated triazole rings from ttpa ligands and nitro groups from nip2− ligands and a 2D → 3D polythreaded network. Eg data of Cuttpa and Mnttpa were 1.88 eV and 2.11 eV. Cuttpa and Mnttpa exhibited good catalytic activity for the decomposition of methyl blue (MB) under visible light and supersound irradiation. The decomposition mechanism using Cuttpa was explored. The holes (h+) and •OH hydroxyl radicals played the main roles, and the •O2− superoxide radicals played certain auxiliary roles in the decomposition of MB within the Cuttpa catalyst.

The molecular structure, electronic properties, and decomposition mechanism of FOX-7 under external electric field were calculated based on density functional theory

The molecular structure, electronic properties, and decomposition mechanism of FOX-7 under external electric field were calculated based on density functional theory

Regulating the Performance of CO2 Adsorbents Based on the Pyrolysis Mechanism of Self-Sacrificial Templating Agents.

Previous research has proven that the pore shape and nitrogen group content of adsorbents play essential roles in determining their carbon dioxide (CO2) adsorption performance. In this article, a series of nitrogen-doped porous carbon materials were prepared for CO2 adsorption by varying the proportion of carbon nitride, the pyrolysis temperature, and the activation ratio of KOH, using chitosan as the carbon source, carbon nitride (g-C3N4 and g-C3N5) as self-sacrificing templating agents, and KOH as the activator. Among the prepared materials, T6-850-1 has the highest specific surface area (SBET) of 2336 m2/g, and T6-750-1 has the highest microporous area (Smicro) and CO2 adsorption capacity (1 bar, 298 K) of 1969 m2/g and 3.49 mmol/g, respectively. The thermal decomposition temperature and products of carbon nitride templates were characterized and tested by thermogravimetric infrared gas chromatography-mass spectrometry (TG-IR-GC-MS), and the thermal decomposition mechanisms of the two carbon nitride templates were investigated. We found that the thermal stability of the template directly affects the pore structure of the final sample as well as the type and quantity of nitrogen species.

Mesoporous N-doped hierarchical porous materials derived from core-shell MOFs: A promising strategy for eliminating sulfamethoxazole using 1O2

Slfamethoxazole (SMX) has been considered as one kind of important micropollutants in water which need to be removed effectively. Developing one kind of material for effectively removing SMX in water is crucial in treatment process. In this study, core–shell structured metal–organic frameworks (MOFs) with increasing shell thickness (5, 10, and 20-ZIF-8@ZIF--67 s) were selected as an ideal platform to develop water-stable hierarchical porous carbons (HPCs) using one-step calcination, showing the dual functionals of both adsorption and catalysis by producing large amount of acitve species (1O2). These novel HPCs systematically optimized at increasing temperatures and ratios of two metals. The 10-Co-NHPC-900 at optimal conditions shows highest adsorption capacities and initial adsorption rates, which are 4.56 and 10.35 times higher than those of calcinated ZIF-67 s. The decomposition mechanisms based on PMS were systematically studied by analyzing oxidant consumption, reactive oxygen species and by-products of SMX. In addition, Co ions leached amount of 10-Co-NHPC-900 was 63.6 times lower than that of MOF precursor, indicating that the cobalt-based porous carbon have higher water stabilities. This study offers an efficient approach for reducing micropollutants risk using water-stable hierarchical porous carbons.

First‐Principles Molecular Dynamics Study on Reductive Stability of High Concentration Electrolyte on Zn Doped Cu Current Collector Surface

AbstractIn enhancing the lifespan of anode‐free Li metal batteries (AFLMBs), current collector (CC) engineering is crucial for achieving uniform and dendrite‐free lithium deposition. The commonly used copper (Cu) CC is unsatisfactory because of its poor lithiophilicity. Here, we consider Zn doping on the Cu CC surface (Zn−Cu) and explore the reductive stability of a high‐concentration electrolyte (HCE), consisting of 3.6 M Lithium Hexafluorophosphate (LiPF6) salt in a mixture of ethylene carbonate (EC) and diethylcarbonate (DEC), on the Zn−Cu (111) surface (HCE|Zn−Cu) using density functional theory (DFT) and ab initio molecular dynamics (AIMD) simulations. The interfacial reactions in the HCE|Zn−Cu system are compared to those on the pristine Cu (111) surface (HCE|Cu). We have also studied the effect of electron‐rich environments on the decomposition mechanism of the HCE mixture on both the CC surfaces. It is found that the HCE mixture is electrochemically stable on both Cu and Zn−Cu surfaces in a neutral environment. However, under electron‐rich conditions, only one DEC molecule has decomposed upon contact with the Cu CC surface, while the two PF6− anion groups from Li salts have decomposed much faster (within 100 fs) when the HCE mixture interacts with the Zn−Cu surface. Our results indicate that Zn doping suppresses undesirable solvent decomposition and improves the quality of the solid electrolyte interphase (SEI) layer.

Exploring the Influence of Metal Oxides on the Pyrolytic Behavior and Decomposition Mechanism of the Green Gas Generating Agent 5-Aminotetrazole

5-Aminotetrazole (5AT) is widely used as a green gas-generating agent in fire extinguishers, but it exhibits low combustion stability. To enhance its combustion rate and modify gas production performance, this study investigated the catalytic effects of adding different metal oxides (Bi2O3, PbO, TiO2, and CoO) on its pyrolysis process and decomposition mechanism. The pyrolysis behavior and pyrolysis products of 5AT were studied by simultaneous thermal analyzer (thermogravimetry - differential thermal analysis, TG-DTA) and TG-FTIR/MS (mass spectrometry and fourier transform infrared spectroscopy) hyphenated instrument. Isoconversional methods were used to calculated kinetic parameters, and reaction mechanism was also speculated by combining the experimental and calculational results. The experimental results indicated that Bi2O3, PbO, TiO2 and CoO have minimal impact on the ring opening reaction process of 5AT, but they catalyzed the polymer decomposition process of 5AT, especially CoO. Consequently, the addition of metal oxides as catalysts to 5AT holds significant potential for improving its thermal safety and enhancing its suitability as a solid propellant gas generator.

Synthesis of anatase powder by ilmenite digestion followed by selective thermal decomposition and leaching

This study investigates an innovative method for producing TiO2 from ilmenite ore through selective thermal decomposition and leaching. The focus lies on understanding the impact of co-existing sulfates on the decomposition temperature of TiOSO4. Insights into the decomposition mechanisms and parameters governing selective leaching efficiency are also presented. Ilmenite concentrate was digested with concentrated sulfuric acid, yielding titanium and iron sulfates. The digested cake was then calcined at different temperatures to induce thermal decomposition. Thermodynamic calculations were employed to model the decomposition reactions and investigate the influence of iron sulfates on TiOSO4 decomposition. Both thermodynamic evaluation and experimental results demonstrate that co-existing iron sulfates play a catalytic role in lowering the decomposition temperature of TiOSO4 from approximately 700°C to below 500°C, facilitating its conversion to TiO2. The calcined powder underwent selective leaching, first with water to remove soluble sulfates, followed by dilute acid to obtain a TiO2 precipitate. The precipitate was analyzed by different techniques.The XRD analysis confirmed the successful conversion of TiOSO4 to Anatase TiO2 during calcination and leaching. The SEM images show that the Anatase TiO2 powder displays a near-spherical morphology, with a particle size ranging from 50 to 200 nm. FTIR, DTA, and DTG analyses supported the thermodynamic calculations and XRD results, offering insights into the phase transformations during thermal decomposition and leaching. The thermodynamic evaluation and experimental results demonstrate that co-existing iron sulfates play a catalytic role in lowering the decomposition temperature of TiOSO4. By using the proposed method, anatase powder was successfully produced with minor impurities of iron, SiO2, and other metal oxides.

A day-ahead wind speed correction method: Enhancing wind speed forecasting accuracy using a strategy combining dynamic feature weighting with multi-source information and dynamic matching with improved similarity function

Forecasting error of day-ahead wind speed (WS) seriously affects wind power integration and power system security and stability. In this regard, this paper fully considers the spatiotemporal correlation of wind farms (WFs) in different geographical locations, and proposes a day-ahead WS combined correction method that integrates multi-source station dynamic information weighting. Different from the previous WS correction methods, this paper fully considers the dynamic correlation of WS between the WFs, introduces an improved weighted similarity function to screen and dynamically weight the information of WFs with dynamic correlation, and introduces the dynamic weighting feature into the WS correction process. A combined decomposition mechanism is proposed, which combines sequential variational mode decomposition (SVMD) and feature mode decomposition (FMD) models to extract the most relevant trend components and non-stationary components of forecasted and measured WS. A combined correction model is introduced, and a combined architecture of Non-stationary Transformer combined with bidirectional long short-term memory network (Ns-Transformer-BILSTM) is used to correct the stationary WS component. A dynamic matching mechanism of fluctuation components considering improved similarity is proposed for the correction of non-stationary components. The proposed method is applied to several regional WFs in China. The experimental results show that the average correction of NRMSE, NMAE and R can reach 2.4 % ∼ 3.7 %, 2.0 % ∼ 3.0 % and 3.3 % ∼ 9.7 %, respectively. The NRMSE and NMAE corresponding to the corrected WS of certain individual WFs can be reduced by 10 % and 9 %, respectively, and R can be increased by 33 %.

The bimetallic 3,5-dinitrobenzoate composites: A flexible-synergistic catalysts for high-performance decomposition of ammonium perchlorate

Composites of metal complexes have catalytic effects on the thermal decomposition of ammonium perchlorate (AP), while the kinetics and mechanism studies of the processes are seldom mentioned. Here, composite microspheres of cupric 3,5-dinitrobenzoate and cobalt 3,5-dinitrobenzoate [(3,5-DNB)Cox•Cuy] were synthesized and employed to research the kinetics and mechanism of AP catalytic decomposition. The decomposition peak temperature of AP in the presence of the (3,5-DNB)Cox•Cuy microspheres decreased from 403 °C (pure AP) to 288 °C, and the released heat increased by 384.5–745.6 J/g. Notably, the (3,5-DNB)Cox•Cuy microspheres significantly improved the kinetic rate constant by 1.83–37.75 times. The (3,5-DNB)Cox•Cuy microspheres exhibited higher activity than their corresponding single components for the thermal decomposition of AP, indicating excellent synergistic effects and proposing a possible mechanism. Understanding the kinetics and mechanism of the catalytic process developed in this study could further improve the decomposition performance of AP.

Dependence of the decomposition rate of furoxanes on the polarity of the solvent

The decomposition rates of diphenylfuroxane and a number of 4-nitro-3-alkyl-furoxanes in dilute solutions were measured by manometric and calorimetric methods. In no case, an increase in the reaction rate was detected with an increase in the polarity of the solvent, which corresponds to the absence of an increase in the dipole moment of the molecule during the formation of a transition state. Based on this result, a conclusion is made about the biradical mechanism of decomposition of uncondensed disubstituted furoxanes in solutions.

Decomposition and Growth Pathways for Ammonium Nitrate Clusters and Nanoparticles.

Understanding the formation and decomposition mechanisms of aerosolized ammonium nitrate species will lead to improvements in modeling the thermodynamics and kinetics of aerosol haze formation. Studying the sputtered mass spectra of cation and anion ammonium nitrate clusters can provide insights as to which growth and evaporation pathways are favored in the earliest stages of nucleation and thereby guide the development and use of accurate models for intermolecular forces for these systems. Simulated annealing Monte Carlo optimization followed by density functional theory optimizations can be used reliably to predict minimum-energy structures and interaction energies for the cation and anion clusters observed in mass spectra as well as for neutral nanoparticles. A combination of translational and rotational mag-walking and sawtooth simulated annealing methods was used to find optimum structures of the various heterogeneous clusters identifiable in the mass spectra. Following these optimizations with ωB97X-D3 density functional theory calculations made it possible to rationalize the pattern of peaks in the mass spectra through computation of the binding energies of clusters involved in various growth and dissociation pathways. Testing these calculations against CCSD(T) and MP2 predictions of the structures and binding energies for small clusters demonstrates the accuracy of the chosen model chemistry. For the first time, the peaks corresponding with all detectable species in both the positive and negative ion mass spectra of ammonium nitrate are identified with their corresponding structures. Thermodynamic control of particle growth and decomposition of ions due to loss of ammonia or nitric acid molecules is indicated. Structures and interaction energies for larger (NH4NO3)n nanoparticles are also presented, including the prediction of new particle morphologies with trigonal pyramidal character.

Conformal Li2O2 Growth and Decomposition Within 3D Lithiophilic Nanocages of Metal–Organic Frameworks for High‐Performance Li─O2 Batteries

AbstractLi─O2 batteries (LOBs) have the largest theoretical capacity among current batteries, but the irreversible growth and decomposition of Li2O2 products in positive electrodes cause dramatic degradation of their capacities over charging–discharging cycles. Herein, a metal–organic framework is reported with bipyridinic N linkers attached to graphene (bpyN‐MOF/g) as a positive electrode material to overcome the challenge. The bpyN‐MOF/g promotes conformal Li2O2 growth during discharging, while allowing Li2O2 decomposition at a low overpotential (0.487 V vs Li+/Li at 200 mA gc−1) during charging process, outperforming the Pt/C‐based electrode (0.857 V). Moreover, 3D‐tomography and density functional theory calculations consistently support the Li2O2 growth and decomposition mechanism inside bpyN‐MOF/g. Furthermore, bpyN‐MOF/g//Li LOBs achieve an exceptional discharge capacity (17 275 mAh gc−1 at 100 mA gc−1) and steady cycling for 270 cycles at 1000 mAh gc−1 under 2000 mA gc−1. Additionally, high gravimetric capacity at low mass loadings (0.27–0.44 mg cm−2) and stable cycle operation at a high areal current density (0.5 mA cm−2) open new opportunities for various practical applications.

Update of the present decomposition mechanisms of ammonia: A combined ReaxFF, DFT and chemkin study

Ammonia, a promising carbon-free fuel, offers significant potential for reducing carbon emissions. The decomposition of NH3 is crucial for improving NH3 combustion, yet its mechanisms remain unclear. This study uses ReaxFF simulations, density functional theory (DFT), and Chemkin calculations to explore NH3 decomposition and refine the Konnov mechanism. Our results show that the NH3 to N2 conversion is highly temperature-dependent. At high temperatures, the pathway is NH3→NH2→N2H4→N2H2→N2. As temperature decreases, the N2H pathway becomes more significant, shifting the reaction to NH3→NH4→NH2→N2H→N2 pathway. Additionally, temperature affects H dissociation: at lower temperatures, NH3 to NH2 follows NH3→NH4→NH2, while the NH4 pathway's influence diminishes with rising temperatures. The updated Konnov mechanism improves NH3 decomposition prediction accuracy by about 72.79% and enhances predictions of decomposition rates and intermediate formations (NH, NH2, NH4). This research advances the understanding of NH3 decomposition mechanisms and is vital for optimizing burners for efficient and stable NH3 combustion.

Thermal properties and decomposition of perovskite energetic materials (C6H14N2) NH4 (ClO4)3

(C6N2H14) NH4 (ClO4)3 (DAP-4) have attracted an increasing focus recently as an ammoniumperchlorate-based molecular perovskite energetic material with outstanding features. Microscopy, variable temperature X-ray diffraction, in situ infrared spectroscopy, differential scanning calorimetry-thermogravimetry simultaneous thermal analysis coupled with infrared spectroscopy and mass spectrometry (DSC-TG/FTIR/MS) techniques were used to systematically investigate DAP-4 thermal properties from -40 °C to 550 °C. The results revealed that DAP-4 have two solid-solid crystallization phase transitions with a non-characteristic melting process. The generated activation energies of HCN, CO, CH2NH2, CO2 and NO2 gas products are all lower than the macroscopic decomposition's of DAP-4. This finding strongly proves that DAP-4 is easy to form these gas products during thermal stimulus. The two stages decomposition mechanism accompanying a large of CH2NH2 and NH2C2H4 gases and kinetic model of DAP-4 were proposed under the condition of high-purity argon gas. This study provides new insight into the in-depth and accurate description thermal decomposition mechanism of DAP-4 as a potential energetic material.

Ammonium perchlorate catalyzed with novel n-Al modified on ZIF-67 with silane coupling agent: Superior catalytic activity, advanced decomposition kinetics and mechanisms

Ammonium perchlorate (AP) is commonly utilized as an oxidizer in composite solid propellants (CSPs), and the thermal decomposition of AP has a significant impact on the combustion behaviour of CSPs. Aluminum nanoparticles (n-Al) as a prospective metal fuel have received a lot of interest, however properly extracting energy from n-Al remains a great challenge. Native oxide layer limits the energetic performance of n-Al by impeding sufficient combustion and slowing down mass/heat transport. Development of the high energy storage based on metastable intermolecular composite (MIC) is always a desirable way. This group of hybrid materials uses zeolitic imidazole framework (ZIF) as the precursors of the metal oxides as the oxidizers in conventional nanothermite. Coating n-Al on the surface of ZIF-67 with a silane coupling agent to erase or disturb the oxide layer on the n-Al surface improves n-Al combustion. n-Al@ZIF-67 was synthesized and integrated into AP matrix. The catalytic activity of n-Al@ZIF-67 on AP decomposition was assessed via DSC and TGA/DTG. Whereas n-Al@ZIF-67/AP nanocomposite demonstrated decomposition enthalpy of 2350 J/g; pure AP demonstrated 836 J/g, ZIF-67/AP demonstrated 1680 J/g, and n-Al/AP demonstrated 1170 J/g. While Al@ZIF-67/AP nanocomposite demonstrated one decomposition temperature at 327 oC; pure AP decompose at two decomposition stages at 298 oC, and 453 oC. n-Al@ZIF-67/AP showed a violent reaction with high intensity of flame, and micro-explosion occurred due to rapidly disrupted oxide layer that covered Al core. Decomposition kinetics was investigated. n-Al@ZIF-67/AP demonstrated apparent activation energy of 125.3 ± 1.23 kJ/mol compared with 173.16 ± 1.95 kJ/mol for pure AP. Co3O4 NPs as the combustion product from ZIF-67 can expose active surface sites; the ability of adsorption of released NH3 gas, which inhibition AP from decomposition, offering efficient combustion. This work provides a new strategy for advanced CSPs by introducing ZIF-67 to construct bifunctional properties for AP decomposition, and n-Al combustion.

Investigation of the impurity effect on the kinetics of thermal decomposition of natural gypsum at high temperatures

Natural gypsum is the most common sulfate on our planet, which is widely used in construction due to its excellent astringent properties, environmental friendliness, thermal and fire resistance, accessibility in nature and low price. Currently, the influence of modifiers, impurities and additives that can improve the strength, acoustic and thermal insulation characteristics of gypsum, which is so important in modern architecture, construction and reducing power consumption, is being increasingly studied. However, additives and impurities, controlled and uncontrolled, as in natural gypsum, can unpredictably affect the thermal stability and fire resistance of gypsum. The purpose of our work is to study the thermal characteristics of gypsum from various deposits in a wide temperature range. Our work shows that the temperature and rate of dissociation of gypsum directly depends on impurities that can change the process of its decomposition. As a result of the decomposition of natural gypsum with impurities, new phases are formed.It has been experimentally shown that the process of thermal destruction of gypsum with impurities has a complex multistage character, which is described by successive reactions of the nth order of the Avrami-Erofeev equation. It can be assumed that the reaction mechanism consists in the rapid formation of numerous nucleation centers on the surface of solid anhydrite. Kinetic parameters of thermal decomposition of gypsum of complex composition and phase formation at high temperatures are calculated. This experimental study shows the dependence of thermal stability on the amount and grade of impurities in gypsum. The results obtained contribute to the improvement of the basic concepts of the mechanism of decomposition of gypsum, as well as the explanation of some high-temperature phase formation processes in nature.

HKNAS: Classification of Hyperspectral Imagery Based on Hyper Kernel Neural Architecture Search.

Recent neural architecture search (NAS)-based approaches have made great progress in the hyperspectral image (HSI) classification tasks. However, the architectures are usually optimized independently of the network weights, increasing searching time, and restricting model performances. To tackle these issues, in this article, different from previous methods that extra define structural parameters, we propose to directly generate structural parameters by utilizing the specifically designed hyper kernels, ingeniously converting the original complex dual optimization problem into easily implemented one-tier optimizations, and greatly shrinking searching costs. Then, we develop a hierarchical multimodule search space whose candidate operations only contain convolutions, and these operations can be integrated into unified kernels. Using the above searching strategy and searching space, we obtain three kinds of networks to separately conduct pixel-level or image-level classifications with 1-D or 3-D convolutions. In addition, by combining the proposed hyper kernel searching scheme with the 3-D convolution decomposition mechanism, we obtain diverse architectures to simulate 3-D convolutions, greatly improving network flexibilities. A series of quantitative and qualitative experiments on six public datasets demonstrate that the proposed methods achieve state-of-the-art results compared with other advanced NAS-based HSI classification approaches.

Study on thermal decomposition and enrichment quality of coal from Mogoin gol deposit in Mongolia

The main purpose of this study is to investigate the thermal stability and the mechanism of thermal decomposition of Mogoin gol coal, the possibility of liquefaction by pyrolysis and thermolysis, and the possibility of enriching by heavy liquids to reduce the mineral content of coal and improve its quality. Under this purpose, The Mogoin gol coal was characterized by proximate and ultimate analysis, thermogravimetry, and investigated its thermal decomposition (thermolysis and pyrolysis). Thermogravimetric analysis was performed using Japanese HITACHI TG/DTA7300 instrument and pyrolysis investigation was carried out at different heating temperatures 200–700 °C with constant heating rate 20 °C/min for 80 min. On the basis of proximate and elemental analysis results, it has been indicated that the Mogoin gol coal is high-rank coking coal. The pyrolysis of Mogoin gol coal was studied by SNOL furnace at different heating temperatures and obtained from pyrolysis products such as hard residue, tar, pyrolytic water, and gas. From pyrolysis, the yield of pyrolysis tar (6.28%) was highest at 700 °C. The experiment of thermal decomposition (thermolysis) was carried out in air closed autoclave at 350–450 °C and using hydrogen donor solvent (tetraline) with different mass ratios of coal and solvent (1:1.75; 1:1.5). In the thermolysis experiment, the yield of liquid product is highest with the coal: solvent ratio of 1:1.5 at 450 °C.

Mechanochemical removal and recovery of fluorine from hazardous fluorine-containing solid waste: Experiments and mechanisms

Large amounts of hazardous fluorine-containing solid waste (HFSW) are produced globally each year. Recycling HFSW not only conserves valuable F resources but also serves as a crucial step towards environmental sustainability. This work proposed an efficient and green approach for F removal and recovery from the HFSW using a mechanochemical method. The results showed that MgF2 component in the HFSW can be almost completely converted to NaF and Mg(OH)2 by the mechanochemical force with NaOH as co-grinding agent. A possible NaOH mechanochemical decomposition and conversion mechanism of MgF2 is also proposed based on thermodynamics, XRD, TEM and DFT calculations. By optimizing the mechanochemical conditions, such as NaOH concentration of 35 mol/L, ball-to-material ratio of 10:1 g/g, liquid-solid-ratio of 1.8 mL/g, mechanical activation speed of 600 rpm, and mechanical activation time of 150 min, 99.51 % of F in the HFSW can be leached. Finally, 98.69 % purity of NaF product was recovered from the as-obtained F-containing leachate through N235 extraction and evaporative crystallization. The results of this work are expected to provide a promising solution for F removal and recovery from HFSW.

Structure, properties, and decomposition in biological systems of a new nitrosyl iron complex with 2-methoxythiophenolyls, promising for the treatment of cardiovascular diseases

A new promising binuclear tetranitrosyl iron complex with 2-methoxythiophenolyl of the composition [Fe2(C7H7OS)2(NO)4] (complex 1), which acts on the therapeutic targets of cardiovascular diseases, guanylate and adenylate cyclase, has been synthesized. X-ray diffraction data show the presence of two isoforms of complex 1; according to quantum chemical calculations, the structure of only the trans isomer is stable in solutions.The processes of transformation of complex 1 in DMSO, in aqueous solutions, as well as in the presence of bovine serum albumin, reduced glutathione, and mucin were studied. DMSO promotes the decomposition of the original complex 1 into mononuclear products. In biological systems, the mechanisms of decomposition of the complex 1 differ from aqueous solutions. In albumin solution, a gradual formation of a high-molecular-weight dinitrosyl complex is observed, obtained by coordinating the [Fe(NO)2]+ fragment with the amino acid groups of the protein. In the presence of mucin, an EPR signal from stable mononitrosyl products is observed. The introduction of glutathione into the system of the complex 1 leads to the replacement of one initial thioligand with glutathione. In the model systems under study, a more efficient and prolonged generation of NO groups is observed compared to a buffer solution.The obtained data on the influence of the environment on the properties of the complex 1 in combination with a study of their effect on enzymes allow us to recommend it for further study as a potential drug with vasodilator, antianginal, and hypotensive properties.