Decomposition Products Research Articles

The Origin of Rapid Capacity Loss in 1,1,1‐Trifluoroethyl Methyl Carbonate – Based Lithium‐Ion Battery Electrolytes

Abstract1,1,1‐trifluoroethyl methyl carbonate (FEMC) is a popular non‐flammable solvent for lithium‐ion battery electrolytes, although its high irreversible capacity means it can only be used with film‐forming additives like fluoroethylene carbonate (FEC). This work studies the origin of the high irreversible capacity of FEMC‐containing cells. Scanning electron microscopy and Raman spectroscopy of graphite anodes after charging and discharging in an FEMC electrolyte show evidence of significant physical and chemical graphite degradation, likely caused by solvent co‐intercalation, which is probably responsible for a large portion of the capacity loss. X‐ray photoelectron spectroscopy analysis of the anodes shows very low graphite signals, a sign of graphite degradation, formation of a thick solid electrolyte interphase (SEI), or both. When a small amount of FEC is added to FEMC, co‐intercalation does not occur. FEC reduction occurs at a higher potential versus Li/Li+ than FEMC co‐intercalation. It also forms a significantly different and thinner SEI containing more carbon, less fluorine, and no apparent FEMC decomposition products.

Magnesium borohydride monoammine as hydrogen storage: Structure and pathway analysis for the thermal decomposition reaction

A perspective compound for the chemical storage of hydrogen is the magnesium borohydride monoammine complex containing 15.61 wt% hydrogen. Mg(BH4)2·NH3 was synthesized by co-heating of Mg(BH4)2·(NH3)6 and Mg(BH4)2 and studied by powder X-ray diffraction, FTIR, X-ray fluorescence spectroscopy, synchronous thermal analysis and mass spectrometry. Quantum-chemical calculations data demonstrate that in a monoammine crystal individual molecules are combined into parallel zig-zag chains in which magnesium atoms are connected by bridging fragments of [−BH4−] groups. The assignment of absorption bands in the IR spectrum of Mg(BH4)2·NH3 has been refined. There is an incomplete release of H2 as a result of thermolysis (3.12 wt%) and the formation of stable reaction products, which contained hydrogen was found. The thermal decomposition reaction pathway was proposed.

Oxidation of butane-2,3-dione at high pressure: Implications for ketene chemistry

Ketene (CH2CO) mechanism is a building block for developing combustion kinetic models of practical fuels. To revisit the combustion chemistry related to ketene, oxidation experiments of butane-2,3‑dione (diacetyl, CH3COCOCH3), considered as an effective precursor of CH2CO, are conducted in a jet-stirred reactor (JSR) at 10 bar and temperatures ranging from 650 to 1160 K. Identification and quantification of intermediates are achieved by Fourier transform infrared spectrometry, gas chromatography, and mass spectrometry. A kinetic model of diacetyl is constructed based on recent theoretical and modeling studies on diacetyl and ketene, which has been validated against the present data and experimental data of diacetyl and CH2CO in literature. Generally, the present model can adequately predict most of them, and better predict the methyl-related intermediates under wide pyrolysis and combustion conditions than previous models. Based on modeling analyses, the unimolecular decomposition reaction of diacetyl is the dominant reaction pathway for fuel consumption under different equivalence ratio conditions, especially at high temperatures. Under lean conditions, both the H-atom abstraction reactions by methyl (i.e. CH3COCOCH3 + CH3 = CH4 + CH2CO + CH3CO, R3) and by OH (i.e. CH3COCOCH3 + OH = H2O + CH2CO + CH3CO, R5) are important for diacetyl consumption, while under rich conditions R5 becomes negligible. As the most important intermediates in diacetyl oxidation, the main consumption pathways of CH2CO and CH3 are dependent on the equivalence ratio conditions. Under lean conditions, CH2CO mainly reacts with OH to produce CH2OH and CO (i.e. CH2CO + OH = CH2OH + CO, R10), while methyl reacts with HO2 to produce CH3O and OH (i.e. CH3 + HO2 = CH3O + OH, R20). In contrast, under rich conditions, the addition-elimination reaction between CH2CO and H becomes competitive with R10, while the CH3 self-combination producing C2H6 plays a more important role than the CH3 oxidation pathway R20. Sensitivity analysis of CH2CO shows that not only the reactions of CH2CO, but also those of CH3 are sensitive to CH2CO formation. This is because CH3 related reactions influence the distribution of radical pool, which determines the oxidation reactivity of the reaction system.

Molecular Dynamics Simulation of PAHs Generated from Rubber Pyrolysis

The rapid expansion of the automotive industry has posed challenges for the waster tire rubber sector. Pyrolysis, as a prominent method for waster rubber treatment, inevitably produces polycyclic aromatic hydrocarbons (PAHs), which serve as precursors to dioxins and exhibit high toxicity. This study utilizes molecular dynamics simulations to investigate the thermal decomposition of rubber macromolecules and the subsequent formation of PAHs. Initially, an overall simulation of the pyrolysis process is conducted to analyze the evolution of pyrolysis products. The pyrolysis of rubber involves sequential decomposition and polymerization, with the evolutionary analysis of the decomposition products with various numbers of carbon atoms used to validate this process. Subsequently, the factors influencing PAH formation are examined and assessed. Temperature elevation enhances rubber pyrolysis, while the maturity of PAH molecules is linked to oxygen levels. The introduction of hydrogen or hydroxyl groups can partially impede PAH generation. This investigation elucidates the mechanisms governing PAH generation during rubber pyrolysis, with the goal of aiding in the effective regulation of PAHs in waster rubber pyrolysis.

Exploring the impact of nanoshaped ceria in the methanol decomposition reaction pathway for clean energy production

The effect of facet exposure in ceria nanostructures on the catalytic properties of Pd/CeO₂ during methanol decomposition was investigated. The results showed the structure sensitive nature of this reaction, with the catalytic activity depending on the facet exposed in the ceria nanostructures. Operando DRIFTS-MS and DFT calculations demonstrated that methanol decomposition proceeds mainly via two reaction pathways depending on the exposed nanofacets: the formate and the formaldehyde pathways. The formaldehyde pathway is inhibited on the (111) nanofacets, where only the formate pathway is energetically favoured, in contrast to the (100) and (110) facets. Superior specific catalytic activity was observed in the catalyst with octahedral morphology, attributed to the higher number of oxygen vacancies per unit surface area, which facilitates the decomposition of formates. By gaining a better understanding of the relationship between the shape control of the catalyst, this work contributes to the collective effort of discovering and implementing sustainable low-carbon energy solutions.

Iron Complexes of 4,5-Bis(diorganophosphinomethyl)acridine Ligands.

The search for an iron analog of the established ruthenium-based catalysts containing methylene-extended 4,5-bis(diorganophosphinomethyl)acridine ligands, [FeHCl(CO)(LR)], resulted in the discovery of a bidentate coordination mode of these usually tridentate pincer ligands toward iron. The acridines nitrogen atom does not coordinate to iron, leading to the formation of iron diphos-type complexes with unusually large cis bite angles of up to 124° as well as trans bite angles around 155°. The iron-containing complexes [FeCl2(κ2-LR)] (R = iPr, Ph), [FeX2(κ2-LCy)] (X = Cl, Br) and [Fe(CO)3(κ2-LR)] (R = iPr, Cy) have been isolated in crystalline form and characterized by spectroscopic methods and mass spectrometry. Their structures were verified unambiguously through X-ray diffraction. The stability of the iron(II) complexes decreased in the order Cy > Ph > iPr and Cl > Br > I, although all iron(II) complexes were found to be relatively stable enough for short-term handling in air in the solid state. Notably, no iron(0) complex of the phenyl derivative could be isolated. The iron(0) complex [Fe(CO)3(κ2-LCy)] was found to be significantly more stable toward hydrolysis and oxygen compared to [Fe(CO)3(κ2-LiPr)] and can be stored in air for months without significant decomposition in the solid state, while [Fe(CO)3(κ2-LiPr)] decomposes in air within seconds. The decomposition products [FeI2(κ2-O2LCy)], [{Fe(CO)3(κ2-HLR)}2] (R = iPr, Cy) and [FeCl2(CO)2(κ1-LCy)(κ1-OLCy)] were identified and characterized crystallographically. The iron(0) complex [Fe(CO)3(κ2-LCy)] is oxidized by [Fe(Cp)2](BPh4) to give the paramagnetic, low-spin iron(I) cation [Fe(CO)3(κ2-LCy)]+. The electron paramagnetic resonance spectrum of the highly sensitive cation as well as density functional theory calculations suggest a partial delocalization of the unpaired electron over the three carbonyl ligands and the acridines aromatic ring system. The catalytic activity and photophysical properties of the complexes have been preliminarily investigated.

Carbothermal reduction of flue gas desulfurization ash through the utilization of waste heat from steel slag: Investigating performance and mechanism

Flue gas desulfurization ash is a significant solid waste generated by the steel industry, leading to environmental pollution. In response to this challenge, this study proposes a novel method for preparing CaS from desulfurized ash through carbothermal reduction using steel slag waste heat. Thermodynamic analysis using FactSage and non-isothermal thermogravimetric testing were conducted to confirm the feasibility of carbothermal reduction. The experiment successfully prepared CaS, with a molar ratio of C to CaSO3 of 1.5 or higher leading to complete reduction. The presence of reducing agent C replaced the decomposition reaction of CaSO3 with reduction, occurring at a temperature 60 K lower. Large scale thermogravimetric analysis experiments demonstrated that as the mass percentage of pulverized coal increased, the reduction reaction of CaSO3 shifted to a lower temperature zone, expanding the temperature range and achieving the theoretical value. Reduction rates of CaSO3 were 43.12 %, 76.9 %, and 99.3 % with ratios of CaSO3 to reducing agent C of 1:0.75, 1:1.5, and 1:3, respectively. Kinetic study results showed that the activation energy of CaSO3 reduction ranged from 90.669 kJ/mol to 136.059 kJ/mol within the conversion rate range of 0.2 to 0.9. When CaSO3 and carbon powder are mixed and subsequently added, the thermochemical decomposition reaction of CaSO3 is inhibited. This inhibition leads to the formation of stable CaS through the reduction of desulfurization ash by carbon.

Sodium nitrite-sodium nitrate eutectic based composite phase change material (CPCM) for medium-temperature thermal energy storage (TES): Exploring the relationship between microstructures and thermal properties

This paper is concerned with a novel medium-temperature composite phase change material (CPCM). More specifically, the CPCM contains a sodium nitrite‑sodium nitrate phase change material for latent and sensible heat storage, magnesium oxide as a ceramic matrix material for shape-stabilisation and sensible heat storage, and expanded graphite as a thermal conductivity enhancer material (TCEM) to improve heat transfer. The focus is on understanding the relationship between the CPCM microstructures and their thermal properties. This CPCM was found to be unique, exhibiting both a reversible solid-solid transition (≈175 °C) and a reversible solid-liquid transition (≈223 °C), with a total latent heat of fusion of ∼120 J/g. In-depth microstructural characterisation of the CPCM indicated adequate thermal stability during thermal cycling in air up to 350 °C, which was also confirmed by their stable latent heat and thermal conductivity. The results highlighted a correlation between microstructures of the CPCMs and their thermal properties, as well as potential thermal decomposition reactions in high temperature industrial applications of molten salts such as concentrating solar power.

Subsolidus phase diagrams of the In2O3-SnO2-ZnO system at 1400 and 1500 °C and new ternary In2Sn2Zn2O9 phase

The In2O3-SnO2-ZnO system is important for the transparent conducting oxides. The isothermal phase diagrams of the ternary In2O3-SnO2-ZnO system at 1400 and 1500 °C were experimentally studied by quenching experiments followed by XRD and EPMA phase analysis. A new ternary In2Sn2Zn2O9 phase with crystal structure analogous to R3c ZnSnO3 was found, and its eutectoid decomposition reaction to In2O3 bixbyite s.s. + Zn2SnO4 spinel s.s. + SnO2 was determined to be 1310 ± 10 °C. In addition, a small homogeneity range of this ternary phase toward In2O3 was found: In2+2xSn2-xZn2-xO9 where x = 0.0 ∼ 0.2 by Zn2+ + Sn4+ = 2 In3+ substitution.

From aromatic rings to aliphatic compounds - degradation of duloxetine with the use of visible light driven Z-scheme photocatalyst

The growing consumption of antidepressants, associated with their high chemical stability and low biodegradability, become a serious problem for aquatic environment. Many of their components are resistant to conventional water treatment technologies. The photocatalytic processes with the use of semiconductors becoming attractive methods of drugs degradation because the highly reactive species: electrons, holes, hydroxyl radicals (⦁OH) and superoxide anion radicals (O2⦁−) generated under illumination may be involved directly or indirectly in decomposition of complicated organic molecules.In this work we have shown for the first time that Z-scheme photocatalyst, consisted of bismuth vanadate (BiVO4), graphitic-like carbon nitride (g-C3N4) and Au nanoparticles (Au NPs) as a charge transfer mediator, is very efficient in degradation of duloxetine (DLX). We performed the comprehensive evaluation focused not only on degradation rate, mechanism of photocatalytic process, but also identification of decomposition products and the pathways of DLX degradation. Due to application of the elaborated Z-scheme photocatalyst, the degradation rate constant was more than 2-3 times higher than that obtained for photolysis, but more important, the final compounds were mainly aliphatic products, formed by opening of aromatic rings. The chemical structure of the degradation products were determined with the use of HPLC and LC-MS. The toxicity of photoproducts with respect to water organisms was tested by means of Spirotox and Microtox assays. The Microtox test indicated that toxicity of the products after 6h of the solution irradiation in the presence of Z-scheme photocatalyst is about 4 times lower than that after photolysis.

200-Fold Lifetime Extension of 2,6- Dihydroxyanthraquinone Electrolyte during Flow Battery Operation.

We study the capacity fade rate of a flow battery utilizing 2,6-dihydroxyanthraquinone (DHAQ) and its dependence on hydroxide concentration, state of charge, cutoff voltages for the discharge step and for the electrochemical regeneration (oxidation of decomposition compounds back to active species) step, and the period of performing the electrochemical regeneration events. Our observations confirm that the first decomposition product, 2,6-dihydroxyanthrone (DHA), is stable, but after electro-oxidative dimerization, the anthrone dimer decomposes. We identify conditions for which there is little time after dimerization until the dimer is rapidly reoxidized electrochemically to form DHAQ. Combining these approaches, we decrease the fade rate to 0.02%/day, which is 18 times lower than the lowest rate reported previously of 0.38%/day, and over 200 times lower than the value under standard cycling conditions of 4.3%/day. The findings and their mechanistic interpretation are expected to extend the lifetime and enhance the effectiveness of in situ electrochemical regeneration for other electroactive species with finite lifetimes.

Linkage and translation for tensor products of representations of simple algebraic groups and quantum groups

AbstractLet be either a simple linear algebraic group over an algebraically closed field of characteristic or a quantum group at an ‐th root of unity. We define a tensor ideal of singular ‐modules in the category of finite‐dimensional ‐modules and study the associated quotient category , called the regular quotient. For , the Coxeter number of , we establish a ‘linkage principle’ and a ‘translation principle’ for tensor products: Let be the essential image in of the principal block of . We first show that is closed under tensor products in . Then we prove that the monoidal structure of is governed to a large extent by the monoidal structure of . These results can be combined to give an external tensor product decomposition , where denotes the Verlinde category of .

Decomposition products of oxygen scavengers and their effect on corrosion of steam generator materials – I. Diethyl-hydroxylamine and carbohydrazide

Hydrazine used as oxygen scavenger in the secondary circuit of pressurized water reactors is hazardous to the environment and potentially carcinogenic, thus, suitable replacement chemicals for it are actively sought. In the present paper, decomposition products of two potential replacements – carbohydrazide and diethyl-hydroxylamine – are analyzed, and their effect on secondary water chemistry and corrosion of the main steam generator materials – carbon steel 22 K, stainless steel 0X18H10T and Alloy 690 – is studied by in-situ electrochemical techniques complemented by ex-situ analyses of the formed oxides by spectroscopic and microscopic methods. Quantitative interpretation of the electrochemical impedance data with the Mixed-Conduction Model allowed for the estimation of oxidation and corrosion release rates depending on scavenger formulation, alloy type and temperature. Conclusions on the extent of interaction of decomposition products with construction materials are drawn based on the experimental and calculational results.

Thermal stability of MDM and oxidative decomposition mechanism under the condition of air infiltration: A combined experimental, ReaxFF-MD and DFT study

When siloxanes are used as the working fluids of organic Rankine cycle systems, there is a possibility of air infiltration due to the large vacuum present in the condenser. To address this issue, experimental and simulation studies were conducted on the thermal stability and pyrolysis product characteristics of octamethyltrisiloxane (MDM) in the presence of air. The results indicated that air significantly promotes the decomposition of MDM at the temperatures above 250 °C. Air was helpful in increasing the formation of CH2O, CO, and CO2, and also enhanced polymerization of decomposition product of siloxane, leading to higher yields of MD2M, MD3M, MD4M, D3, D4, and D5. By combining reactive force field molecular dynamics (ReaxFF-MD) simulations with density functional theory (DFT) calculations, the microscopic mechanisms of MDM's oxidative decomposition by O2 in air and H2O under humid conditions were elucidated. O2 can easily combine with unsaturated Si atoms to form Si-O bonds, combine with CH3 radicals to form C-O bonds, and undergoes hydrogen extraction reactions to initiate decomposition. H2O mainly undergoes initial decomposition through CH3 radical hydrogenation and binding with unsaturated Si atoms. The generated O2H, O, and OH radicals tend to bind with Si atoms in molecules and radicals, facilitating polymerization reactions.

New evidence of syn-eruptive magma-carbonate interaction: the case study of the Pomici di Avellino eruption at Somma-Vesuvius (Italy)

Calcareous lithics are commonly found within the products of some explosive eruptions of Somma-Vesuvius. The pumice fragments from the final phase of the Plinian fallout event of the Pomici di Avellino eruption contain abundant calcareous xenoliths. Previous work on that eruption, including numerical simulations, suggested that the release of CO2 from the entrapment of carbonates may have prolonged the magmatic phase of the eruption by maintaining sufficient driving pressure in the feeding dike. The texture and thermo-metamorphic reactions of carbonate xenolith-bearing pumice fragments of the Pomici di Avellino eruption are analyzed through petrography, scanning electron microscope images, energy dispersive spectrometer analyses, and micro-computed X-ray tomography to deduce the behavior of short-term carbonate-magma interaction and its contribution to the eruption dynamics. Results show that calcareous xenoliths experienced short-term magma-carbonate interaction, which took place in three steps: (i) entrainment, i.e., the mechanical process of carbonate xenoliths entrapment into a magma; (ii) decarbonation, related to high-temperature decomposition reaction of the xenoliths; and (iii) digestion or dissolution of the incorporated calcareous xenoliths into the melt with diffusion of Ca and Mg. The CO2 released during the syn-eruptive decarbonation process thus provided extra volatiles to the rising magma, which may have maintained magma buoyancy longer than expected if only magmatic volatiles were involved in the eruption.

An Evaluation Modeling Study of Thermal Runaway in Li-Ion Batteries Based on Operation Environments in an Energy Storage System

According to the green growth and carbon-neutral policy in Korea, the installation of large-capacity ESSs is rapidly being increased, but a total number of 50 ESS fire cases have occurred since the end of 2023. ESSs are typically composed of series-parallel connections with numerous Li-ion batteries, and when the temperature of a deteriorated cell increases due to thermal, electrical, and mechanical stress, thermal runaway can occur due to additional heat generated by an internal chemical reaction. Here, an internal chemical reaction in a Li-ion battery results in the different characteristics on the decomposition reaction and heat release depending on the operation conditions in the ESS, such as the rising temperature rate, convective heat transfer coefficient, and C-rate of charging and discharging. Therefore, this paper presents mathematical equations and modeling of thermal runaway, composed of the heating device section, heat release section by chemical reaction, chemical reaction section at the SEI layer, chemical reaction section between the negative and positive electrodes and solvents, and chemical reaction section at the electrolyte by itself, based on MATLAB/SIMULINK (2022), which were validated by a thermal runaway test device. From the simulation and test results based on the proposed simulation modeling and test device according to the operation conditions in ESSs, it was found that the proposed modeling is an effective and reliable tool to evaluate the processing characteristics of thermal runaway because the occurrence time intervals and maximum temperatures had almost the same values in both the test device and simulation modeling. Accordingly, it was confirmed that the rising temperature rate and the convective heat transfer coefficient were more critical in the thermal runaway than the C-rate of charging and discharging.

DFT study of adsorption and potential detection of carbonyl fluoride on B-doped aluminum nitride nanosheets

Carbonyl fluoride (COF2) is a decomposition product that can be used to find failures in gas-insulated switchgear equipment. In this study, we applied Density Functional Theory (DFT) calculations to examine the suitability of pristine and boron-doped aluminum nitride nanosheets (AlNNS) for COF2 adsorption and sensing applications. Our investigation suggested a dissociative COF2 adsorption on pristine AlNNS, resulting in important adsorption energy (–2.19 eV), the releasing of a fluorine atom from the molecule and formation of new C–N, O–Al and F–Al bonds. Two preferential chemisorption geometries were achieved on the B-doped N-vacancy monolayer (B-vN-AlNNS), with adsorption energies of –1.04 and –3.44 eV. In the first geometry, only an O–B bond was formed, whereas in the another one similar interactions as in COF2/AlNNS took place. Furthermore, we analyzed the evolution of electronic properties in order to evaluate the performance of these nanosheets for COF2 detection purposes. Our results showed significant modifications in both energy gap and work function only after COF2 adsorption on B-vN-AlNNS. Finally, charge transfer analysis revealed electron exchange from the studied surfaces to the gas molecule. These findings suggest that B-doped AlNNS exhibits good performance for COF2 detection, and could encourage further experimental research to develop efficient sensing materials.

Temperature Dependence of the Pre-Chromatographic ‘Lawrence’ Method for Bivalves Contaminated with Paralytic Shellfish Poisoning Toxins

AbstractSaxitoxins are potent neurotoxins originating the acute human neurological syndrome of paralytic shellfish poisoning (PSP) via bivalve vectors. The official testing method in the European Union, commonly known as the ‘Lawrence method’, involves pre-column oxidation steps. The Portuguese monitoring adopted the hydrogen peroxide oxidation screening approach for bivalves contaminated with Gymnodinium catenatum toxins, which can quantify chromatographically at once 6 out of 10 analogues commonly found in bivalves. Seasonal fluctuation in the fluorescence yield of calibration curves was observed across years in a consistent manner. It correlated with fluctuations in average monthly air temperature in Lisbon, highlighting the importance of recording the room temperature during the oxidation steps as a matter of routine practice. Incubation experiments also showed an increase in fluorescence yield with temperature, more pronounced for the 11-hydroxysulphate analogues (dcGTX2 + 3, C1 + 2, GTX2 + 3) than for the 11-H toxins (dcSTX, GTX5[B1], STX). Temperature can be exploited to increase fluorescence yield, assisting in spectral confirmation, but must not exceed 40–50 °C to avoid toxin decomposition or production of extra oxidation products.

Heat- and shock-induced pyrolysis of crystalline and amorphous TNT revealed by ReaxFF-lg simulations

The decomposition mechanisms of crystalline and amorphous TNT were studied through ReaxFF-lg simulations under the heat-loaded and shock-loaded. Their differences were elucidated from the initial decay reactions, activation energy, products and the clusters. Results showed that the heat-induced pyrolysis of two systems differed slight, but the shock-induced pyrolysis differed large. The decomposition reactions of amorphous and crystalline models are similar, but the nitro oxidation of TNT is only found in amorphous. Dimerization and intermolecular H-transfer were found at the constant temperature and MSST simulations, and intermolecular O-transfer were only found at the constant temperature simulations. For MSST simulation, products in crystalline formed later than in amorphous, and the number of clusters in crystalline is much larger than in amorphous, which indicating crystalline TNT would be induced early through shock wave. These findings could help to increase the understanding for the thermolysis behavior and safety of crystalline and amorphous energetic materials.

An Unprecedented Tridentate-Bridging Coordination Mode of Permanganate Ions: The Synthesis of an Anionic Coordination Polymer-[CoIII(NH3)6]n[(K(κ1-Cl)2(μ2,2',2″-(κ3-O,O',O″-MnO4)2)n∞]-Containing Potassium Central Ion and Chlorido and Permanganato Ligands.

A unique compound (compound 1) with structural features including an unprecedented tridentate-bridging coordination mode of permanganate ions and an eight-coordinated (rhombohedral) κ1-chlorido and tridentate permanganato ligand in a potassium complex containing coordination polymer (CoIII(NH3)6]n[(K(κ1-Cl)2(μ2,2',2″-(κ3-O,O',O″-MnO4)2)n∞) with isolated regular octahedral hexamminecobalt(III) cation was synthesized with a yield of >90%. The structure was found to be stabilized by mono and bifurcated N-H∙∙∙Cl and N-H∙∙∙O (bridging and non-bridging) hydrogen bonds. Detailed spectroscopic (IR, far-IR, and Raman) studies and correlation analysis were performed to assign all vibrational modes. The existence of a resonance Raman effect of compound 1 was also observed. The thermal decomposition products at 500 °C were found to be tetragonal nano-CoMn2O4 spinel with 19-25 nm crystallite size and KCl. The decomposition intermediates formed in toluene at 110 °C showed the presence of a potassium- and chloride-containing intermediates combined into KCl during aqueous leaching, together with the formation of cobalt(II) nitrate hexahydrate. This means that the CoIII-CoII redox reaction and the complete decomposition of the permanganate ions occurred in the first decomposition step, with a partial oxidation of ammonia into nitrate ions.