Iodide Ions Research Articles

An efficient one-pot synthesis of 2-aminothiazoles via electrochemically oxidative α-C-H functionalization of ketones with thioureas

An efficient one-pot electrochemical protocol for the synthesis of 2-aminothiazoles has been described from electrolysis of ketones with thioureas mediated by iodide ion. The electrochemical synthesis was conducted in an undivided cell equipped with graphite plates electrodes under constant current conditions. A diversity of aromatic and aliphatic ketones was suitable for the reaction, yielding the corresponding 2-aminothiazoles in satisfactory yields. Mechanistically, the in-situ generated α-iodoketone was proposed to be a key active species.

Electronic defect passivation of FASnI3 films by simultaneous Hydrogen-bonding and chlorine co-ordination for highly efficient and stable perovskite solar cells

• Hydroxylamine Hydrochloride (HaHc) was added to FASnI 3 precursor solution. • H-I bonding amid HaHc and FASnI 3 was confirmed by first principle calculation. • Concurrently Cl - interaction with Sn 2+ ions were observed. • The bifunctional effects reduced the electronic defects of FASnI 3 film. • Light soaking stability of 500 h was observed for the respective PSCs. Tin based perovskite solar cells (Sn-PSCs) has emerged as a viable solution for the fabrication of low toxic PSCs. However, the rapid crystallization process of tin halide perovskite compounds often result in severe elctronic defects which limits the open circuit voltage (V OC ) of the overall PSC. In this work, we report on the successful implementation of a bifunctional compound- Hydroxylamine Hydrochloride (HaHc) with FASnI 3 perovksite to reduce the electronic defects. The hydroxyl group in the HaHc formed a hydrogen bond with iodide ion in FASnI 3 perovskite system and stabilizes the overall structure, which is evidenced by nuclear magnetic resonance spectroscopy and first-principle calculations. Additionally, the Cl - ion of the HaHc co-ordinates with the under coordinated Sn 2+ ions of the FASnI 3 perovskite and induces crystal growth along the < h 00 > direction with enhanced crystallinity. Collectively with these dual aspects, the HaHc reduces the electronic defects of the FASnI 3 perovskite film. With an optimized concentration of HaHc added with the FASnI 3 , the corresponding Sn-PSCs showed improved V OC up to 0.676 V and power conversion efficiency of 9.18%. Additionaly, the bi-functional HaHc is effective to stabilize the FASnI 3 system and exhibited light soaking stablity up to 500 h for the respective Sn-PSCs.

Enhancing performance and stability of perovskite solar cells through defect passivation with a polyamide derivative obtained from benzoxazine-isocyanide chemistry

• A phenolic hydroxyl-substituted polyamide derivative PAB serves as an passivating agent. • Hole transport polymer PM6-T10 is used in perovskite solar cells for the first time. • Three kinds of polar groups linked by flexible backbone provide effective passivation. • Devices PAB-0.15 display better device performances than the reference devices PAB-0. Owing to the presence of amounts of defects in organic/inorganic hybrid perovskite, defect passivation is considered as a significant way to improve the efficiency and stability of perovskite solar cells (PVSCs). Herein, for the first time, a phenolic hydroxyl-substituted polyamide derivative (PAB), which was prepared by benzoxazine-isocyanide chemistry (BIC) and simultaneously contained hydroxyl, secondary amine, and carboxyl functional segments, was selected as the precursor additive to passivate perovskite active layer. Different passivation groups attached in the chain of a polymer are vital for the defect passivation of perovskite containing various defects. Hydroxyl and carboxyl can act as Lewis bases to passivate the undercoordinated lead defects, and secondary amine can coordinate with iodide ion. These passivation groups linked by the flexible polymer chains provide effective interaction with trap states on the surfaces and grain boundaries of perovskite, suppressing the trap-assisted non-radiative charge carrier recombination thus. As a result, these positive effects increased the efficiency of PVSCs from 19.45% to 21.13%, and maintained 95% initial efficiency after 32 days in ambient air (humidity around 50%, room temperature). This work opens a viable avenue to develop efficient passivating polymers via benzoxazine-isocyanide chemistry.

Enhancing the performance of perovskite solar cells through simple bilateral active site molecule assisted surface defect passivation

Surface defects of perovskite film seriously restrict the photovoltaic performance of perovskite solar cells (PSCs). Therefore, it’s extremely important to develop effective surface defect passivation methods to further enhance the performance of PSCs. In this work, we design and synthesize a small molecular material (4-cyanophenyl) methanamine iodide (CMAI) by incorporating bilateral functional sites of nitrile (–CN) and ammonium (–NH3+) groups. The research manifests that CMAI can not only passivate the lead defects, but also fill the iodide ion vacancy, resulting in the significant reduction of trap state density, the effective suppression of nonradiative recombination, as well as the preferable carrier transport from the perovskite to the hole transport layer. By optimizing the treatment conditions, the CMAI-treated device exhibits an impressive efficiency of 21.59% together with excellent humidity stability, thoroughly over-performing the control device. This work provides a simple and efficient passivation strategy for fabrication of highly stable and efficient PSCs.

Synthesis and characterization of amantadinium iodoacetatobismuthate, a hybrid compound with mixed iodide–carboxylate anions

The amantadinium iodoacetatobismuthate(III) [C10H15NH3·(CH3)2CO]2[BiI3.67(CH3COO)1.33] is a new hybrid halometallate with iodide ions partially replaced by oxygen-containing acetates to form stronger interaction between the anionic and cationic substructures. The title compound as well-shaped orange-red crystals was synthesized by a facile reaction in acetone solution in the presence of glacial acetic acid. The crystal structure of the compound consists of the infinite anionic chains [BiI3.67(CH3COO)1.33]2– and the countercations [C10H15NH3·(CH3)2CO]+; according to the optical absorption data, the test compound is a semiconductor with a band gap of 2.06 eV.

Uncovering the Mechanism of Poly(ionic‐liquid)s Multiple Inhibition of Ion Migration for Efficient and Stable Perovskite Solar Cells

AbstractLongevity is a key constraint for hybrid perovskite based photovoltaics. Here it is demonstrated that ion migration‐induced degradation can be eliminated by incorporation of multifunctional poly(ionic‐liquid)s (PILs) additives, resulting in ultrastable perovskite solar cells (PVSCs). The presence of PILs suffices to construct an “ionic polymer network,” providing the functionalities of defect passivation and ion immobilization by concurrently forming a physical barrier and chemical bonding. Compared with the defect passivation effect for the imidazolium‐based PIL (PIL‐Im) case, the quaternary ammonium‐based PIL (PIL‐Am) shows a higher interaction energy with the perovskite due to the stronger electronic coupling ascribed to the additional complexation, which endows the corresponding perovskite with higher migration energy for iodide ions. As a result, the power conversion efficiency (PCE) of anion‐cation‐mixed hybrid n‐i‐p PVSCs with PIL‐Am is remarkably improved from 20.26% to 22.22%. Specifically, the PILs‐modified device perfectly retains its dark current characteristics upon a cooling (−40 °C)–heating (85 °C) process. The unencapsulated PIL‐Am stabilized PVSC maintains 80% of the initial PCE under AM 1.5G light soaking for nearly 1500 h. The corresponding device also displays pronounced stability under thermal stress or realistic operation conditions.

Inhibiting Ion Migration by Guanidinium Cation Doping for Efficient Perovskite Solar Cells with Enhanced Operational Stability

Perovskite solar cells (PSCs) develop great potential to make photovoltaic power generation systems more cost‐effective due to the high power conversion efficiency (PCE), low material cost, and easy fabrication. Alloyed A‐site cations surrounded by PbI6 octahedra play decisive roles in the crystal structure, bandgap, and phase stability, as well as ion migration. Herein, based on the temperature‐dependent ion conductivity measurement, the activation energy for iodide ion migration is systematically studied with different proportions of guanidinium cation (GA+) substitution. It is found that partial GA+ doping could effectively suppress iodide ion migration. The triple‐cation perovskite (MA0.8FA0.1GA0.1PbI3) PSCs achieve a PCE of 22.17% with superior operational stability maintaining 90% of their initial efficiency after 1200 h under continuous light soaking. Furthermore, it is extended to mini perovskite solar modules, 14 cm2 active area, and achieves a PCE of 19.18%.

Conformational alterations in unidirectional ion transport of a light-driven chloride pump revealed using X-ray free electron lasers

Light-driven chloride-pumping rhodopsins actively transport anions, including various halide ions, across cell membranes. Recent studies using time-resolved serial femtosecond crystallography (TR-SFX) have uncovered the structural changes and ion transfer mechanisms in light-driven cation-pumping rhodopsins. However, the mechanism by which the conformational changes pump an anion to achieve unidirectional ion transport, from the extracellular side to the cytoplasmic side, in anion-pumping rhodopsins remains enigmatic. We have collected TR-SFX data of Nonlabens marinus rhodopsin-3 (NM-R3), derived from a marine flavobacterium, at 10-µs and 1-ms time points after photoexcitation. Our structural analysis reveals the conformational alterations during ion transfer and after ion release. Movements of the retinal chromophore initially displace a conserved tryptophan to the cytoplasmic side of NM-R3, accompanied by a slight shift of the halide ion bound to the retinal. After ion release, the inward movements of helix C and helix G and the lateral displacements of the retinal block access to the extracellular side of NM-R3. Anomalous signal data have also been obtained from NM-R3 crystals containing iodide ions. The anomalous density maps provide insight into the halide binding site for ion transfer in NM-R3.

Disinfection of Therapeutic Spa Waters: Applicability of Sodium Hypochlorite and Hydrogen Peroxide-Based Disinfectants

The microbial water quality of therapeutic pools operating without disinfection is recurrently compromised, posing a risk to bathers’ health. The complex composition of such waters and the sensitivity of their therapeutic components hinder the use of traditional chlorine-based disinfectants. The present study aimed to investigate the applicability of a hydrogen peroxide-based disinfectant in therapeutic water in comparison with hypochlorite. Disinfection efficacy, byproduct formation, and the fate of therapeutic components were tested for both disinfectants under laboratory conditions, applying different doses and contact times. Disinfection efficacy was found to be matrix-dependent, especially that of hydrogen peroxide against Pseudomonas aeruginosa (a 10- to 1000-fold difference). Hypochlorite treatment presented a significant chemical risk through the generation of byproducts, mainly brominated and iodinated compounds and combined chlorine. Of the alleged therapeutic components, sulfide ions were eliminated (≥86% loss) by both disinfectants, and hypochlorite reacted with iodide ions as well (≥70% removal). Based on their composition, only 2% of Hungarian therapeutic waters can be treated by chlorination due to high concentrations of ammonia and/or organic compounds. Hydrogen peroxide is applicable to 82% of the waters, as the presence of sulfide ions is the only limiting factor. Due to the matrix effect, close control of residual disinfectant concentration is necessary to ensure microbial safety.

Method for biochemical monitoring of iodine. Determination of iodide-ion in urine with an ion-selective electrode

Determination of iodine in urine is an important methodology in the assessment of thyroid disorders. This indicator is often used in epidemiological studies of the state of iodine nutrition of the population, since the widespread prevalence of human iodine deficiency diseases is directly related to the lack of iodine intake with food and water. A method for the iodide ion determination in urine has been developed based on preliminary preservation of the sample in the presence of a buffer solution containing 4.28 %wt. H2O2 at pH 6.8 – 7.5 and measurements of the potential of the iodide selective electrode directly in the preserved sample solution without separation of the interfering components. After mixing the sample with a buffer solution in a ratio of 1:1, it is preserved after 18 – 24 h and stored for at least 30 days. The interfering effect of macro- and micro-components has been studied. It is shown that the amount of sodium chloride in the sample should be taken into account only in studying the severe iodine deficiency (≤20 μg/liter) and urea does not affect the potential of the electrode. To assess the total effect of the organic components of urine, we compared the results of parallel determinations of iodine in the samples, one of which was preserved, and organics was removed from the second one by alkaline ashing. It is shown that the discrepancies in the results were random and did not exceed 11.3 %. Iodine loss has not been determined, the bias between the concentration of the introduced and found additives was insignificant. Thus, in a buffer solution with hydrogen peroxide, not only the preservation of the urine sample for a long time takes place, but also the interfering influence of inorganic and organic components of the sample matrix on the membrane of the ion-selective electrode is eliminated. Metrological evaluation of the developed methodology was performed, which showed the precision and trueness of the procedure. The method was tested in an experiment on the correction and enrichment of iodine in the diet of schoolchildren. The low cost, convenient and easy to use equipment, the possibility of long-term storage of preserved samples makes the method mobile and suitable for biochemical monitoring of iodine consumption and deficiency during a large-scale population survey.

Kapok leaves extract and synergistic iodide as novel effective corrosion inhibitors for Q235 carbon steel in H2SO4 medium

The kapok leaves were extracted via absolute ethyl alcohol in a Soxhlet extractor. The acquired kapok leaves extract (KLE) and synergistic iodide ions are firstly used as novel environmental-friendly corrosion inhibitors for Q235 carbon steel in 0.5 mol/L H2SO4 solution. The corrosion inhibition performance was researched by electrochemical tests and surface analysis. Results indicated that the KLE and I- inhibitors exhibit a mixed anodic and cathodic inhibition behavior and outstanding inhibition efficiency of 95%. Moreover, it still achieves more than 90% inhibition efficiency after 72 h long-term immersion in sulfuric solution. The adsorption on the carbon steel surface obeys the Langmuir adsorption isotherm model involving physisorption, and the inhibition efficiency decreases with an elevated temperature. The synergistic inhibition mechanism of KLE and I- inhibitors is further revealed.

An Ab Initio Molecular Dynamics Study of the Mechanism and Rate of Dye Regeneration by Iodide Ions in Dye-Sensitized Solar Cells

In the ambition to improve the power conversion efficiency (PCE) of dye-sensitized solar cells (DSSCs), it will be essential to understand the mechanisms and rates of dye regeneration. Although the mechanism of dye regeneration has been studied by static density functional theory (DFT) and classical molecular dynamics (CMD) simulations, ab initio molecular dynamics simulation (aiMD) has the potential to combine the insights from both methods for a deeper understanding. In this work, a series of aiMD simulations has been performed to study the interaction between an oxidized organic model dye, LEG4, and an electrolyte containing iodide ions as reducing agents. Dynamic Mulliken and natural spin population analyses show that two iodide ions, I–···I–, are required for dye regeneration. It was found that a distance between I–···I– of less than 6.5 Å at site 1 benefits from the electrostatic environment of the triphenylamine group of the LEG4 dye, and a corresponding distance of 4.8 Å at site 2 is essential for the dye regeneration process to take place. The rate constants of the LEG4 regeneration by two iodine ions range from 105 to 1012 s–1, spanning a window in which results from both experimental and static theoretical calculations fall. It is also verified that the probability of electron transfer from a radical I2– to the oxidized LEG4 dye is extremely low due to the rapid electron back-transfer. However, it has been found that the addition of an additional iodide ion at a distance of 5 Å with respect to the radical I2– opens the pathway for the reduction of the oxidized LEG4 dye with an associated formation of I3–. The current results highlight the necessity for a dynamical approach for a full understanding of the regeneration process.

Promotion Effect by Organic Compounds on Dissolution of an Iodine Film Formed by Electrochemical Oxidation of Iodide Ions in an Aqueous Solution

When iodide ions (I−) are electrochemically oxidized in an aqueous solution containing a high concentration of I−, an iodine (I2) film is formed on the electrode surface and inhibits further oxidation of I−. The effect of adding an organic compound as an additive on the I2 film was investigated and discussed in the light of electrochemical investigations, spectroscopic analyses, and quantum chemical calculations. Aprotonic organic compounds such as acetonitrile (AN) increased the current of I− oxidation while protonic organic compounds such as ethanol (EtOH) did not increase it. The effect did not simply correspond to the increase in solubility of I2 molecules. In the theoretical calculations, AN showed a behavior that it promoted hydration of an I2 molecule by coordinating with the I2 molecule while EtOH formed hydrogen bonds with H2O molecules and did not show the behavior. AN desorbed from the I2 molecule when the coordinated I2 molecule was hydrated. The aprotonic organic compounds were considered to act as a catalyst to promote the hydration of the I2 molecules contained in the I2 film and thereby promote dissolution of the I2 film.

Comparison of the Electrochemical Behavior of Iodide Ion in Hydrophobic/Hydrophilic Ionic Liquids

The electro-oxidation of iodide has been investigated using cyclic voltammetry on a platinum electrode in ionic liquids tributylmethylammonium bis(trifluoromethylsulfonyl)imide (N4441NTf2), trioctylmethylammonium salicylate (TOMAS) and 1-butyl-3-methylimidazolium tetrafluoroborate (BmimBF4). The hydrophobic/hydrophilic TOMAS ionic liquid was used for the first time in electrochemical research. Two electro-oxidation processes are observed in all of the investigated ionic liquids. The calculation of the number of electrons corresponding to every electro-oxidation stage suggested that in N4441NTf2 electro-oxidation follows a different path than those described in the literature. The hydrophobicity/hydrophilicity of ionic liquids affects electrochemical processes. It was shown that the best electrolyte for electro-oxidation of iodide is hydrophobic ionic liquid N4441NTf2.

Tetra-2,3-Pyrazinoporphyrazines with Externally Appended Pyridine Rings 22 Synthesis, Physicochemical and Photoactivity Studies on In(III) Mono- and Heteropentanuclear Complexes.

The basic macrocyclic octapyridinotetrapyrazinoporphyrazine InIII complex of formula [Py8TPyzPzIn(OAc)]·8H2O, prepared by reaction of the free ligand [Py8TPyzPzH2]·2H2O with In(OAc)3, is a stable-to-air species of which the structure has been studied by its X-ray powder diffraction and mass spectra and characterization operated by IR and UV-visible spectral behavior. The complex has been further examined and proven to be of potential interest for its response as an anticancer agent in the field of photodynamic therapy (PDT), the value of ΦΔ = 0.55 (in DMF) being in the range of 0.4–0.6 at the level of similar phthalocyanine and porphyrazine analogs and qualifying the species as a highly efficient anticancer agent. Planned parallel types of investigation, including their photoactive behaviour in PDT, have been extended to the mononuclear octacation [(2-Mepy)8TPyzPzIn(OAc)]8+ (salted by iodide ions) and the heteropentanuclear derivatives [(M’Cl2)4Py8TPyzPzIn(OAc)]·xH2O (M’ = PdII, x = 8; PtII, x = 1)) and [{(Pd(CBT)2)4}Py8TPyzPzIn(OAc)]·19H2O (CBT = m-carborane-1-thiolate anion).

Symmetric aqueous redox flow battery using hydroiodic acid and anthraquinone‐2, 7‐disulfonic acid as redox couple

Iodide and triiodide ions (I− and I3− ions) are interesting active redox materials for aqueous redox flow batteries (ARFBs) due to high solubility in various supporting electrolytes. However, under alkaline and neutral electrolytes, the redox reaction of I− and I3− ions is unstable due to undesirable potassium iodate produced during the reaction, whereas the reaction is stably operated under an acidic electrolyte state. As a redox couple, anthraquinone-2,7-disulfonic acid (AQDS) is considered due to excellent stability and high solubility, and perchloric acid is determined as an electrolyte because this suppresses another undesirable water-splitting reaction. For providing abundant I− and I3− ions, hydroiodic acid (HI) is used because hydrogen ions contained in HI can act as a proton donor, increasing the conductivity in the solution leading to better kinetics of the redox reaction of I− and I3−. When asymmetric ARFB using this redox couple is operated, gradual decay in both capacity and efficiencies is observed. This is due to the crossover of I− ions to the AQDS side. To overcome the problem, symmetric ARFB using the mixture of HI and AQDS in both electrolytes is adopted, and with that, the crossover issue is solved because the ionic balance of electrolyte is well maintained by the use of symmetric electrolyte, while its energy efficiency and discharging capacity are excellent as 67.6% and 26.6 Ah L−1, respectively, with capacity retention of 99.99% for 100 cycles.

Anion Exchange in Lead Halide Perovskites: An Overview

Precise tuning of the bandgap of lead halide perovskites by the postsynthetic anion exchange reaction has been considered as one of the best methods to customize their optical/electronic properties. The anion exchange reaction of lead halide perovskites is very fast and occurs at room temperature. The crystal structure of the lead halide perovskites is soft, and hence it facilitates diffusion of the halide ions through the crystal lattice. Through this anion exchange reaction, emission of lead halide perovskites can be tuned in the entire visible range, by varying the amounts of chloride, bromide, and iodide ions from the same synthesis in a cost‐effective manner. Herein, the mechanism involved in the anion exchange reactions and the factors influencing the same are discussed. Also, the discussion is extended to demonstrate how anion exchange process can make lead halide perovskite a more promising candidate for various applications.

Schiff base complexes of Cu(II) and Ni(II) derived from N,N'-bis(salicylidene)-o-phenylenediamine as potential ionophores in the construction of PVC membrane iodide sensors

Two Schiff base compl exes of Cu(II) and Ni(II),designated as M1 and M2, respectively were synthesized from N,N'-bis(salicylidene)-o-phenylenediamine and characterized by IR and NMR spectroscopy. The results of conductometric and stability constant revealed that these complexes with several anions created the possibility of their use as potential ionophores in the development of iodide selective sensors. Poly(vinyl chloride)(PVC) membrane sensors of these complexes using several plasticizers (o-NPOE, CN, TBP, DOP and DBP) and cationic additive (CTAB) were fabricated as well as examined for the detection of iodide ions in aqueous solution. The performance characteristics of the various sensors of these ionophores exhibited that sensors having membrane composition as M1(4 mg):PVC(34 mg):TBP(62 mg):CTAB(7 mg) and M2(4 mg):PVC(34 mg):TBP(62 mg):CTAB(5 mg) showed best characteristics regarding Nernstian slope (59.4 and 59.2 mV decade−1 of [I-]), linear working range (6.3 ×10−8-3.2 ×10−2 mol L−1 and 7.9 ×10−8-1.0 ×10−2 mol L−1), detection limit (3.8 ×10−8 mol L−1 and 5.6 ×10−8 mol L−1) and response time of 7 and 9 s, respectively. These sensors performed well in the pH range of (4.0–9.0) and showed adequate shelf lives with 20% (v/v) non-aqueous tolerance. The proposed sensors served as indicator electrodes in the potentiometric titration of iodide ions against silver nitrate solution and in the determination of iodide ion concentration in mouthwash and river water samples.

New Sulfur‐Containing Ferrocenylimidazo[4,5‐b]pyridines: Multiresponsive Hg2+ Ion Sensing and Structure‐Sensing Correlation

AbstractTwo new sulfur‐containing ferrocenylimidazo[4,5‐b]pyridines, 2‐ferrocenyl‐5‐(thiophen‐2‐yl)‐1H‐imidazo[4,5‐b]pyridine (L1) and 2‐ferrocenyl‐5‐(thiophen‐3‐yl)‐1H‐imidazo[4,5‐b]pyridine (L2), were synthesized and characterized. L1 and L2 behaved as highly selective fluorescent “turn‐off”, redox (ΔE1/2=0.25 V for L1 and ΔE1/2=0.22 V for L2) and UV active receptors for Hg2+ ions through the formation of the corresponding 2 : 1 and 1 : 1 (receptor:metal ion) complexes, with detection limits 4.47×10−8 M and 2.21×10−7 M, respectively. Furthermore, the quenched fluorescence of L1 was recovered on iodide ion addition. The sensing mechanism study suggested that although the imidazo[4,5‐b]pyridine is the main coordination unit providing N, N binding sites, the added thienyls have improved the fluorescence emission and Hg2+ sensing selectivity of L1 and L2, and obviously influenced the coordination mode. Finally, living cell imaging and test strip experiments demonstrated the potential application of L1 in fluorescent visualization of Hg2+ ions in biological and environmental systems.

Iodide ions enhancing sulfamerazine degradation by horseradish peroxidase/H2O2: Degradation products, degradation mechanism and toxicity assessment

Biocatalytic treatment using horseradish peroxidase (HRP) is a sustainable technology to remove antibiotics from wastewater. In order to improve removal efficiency, a HRP/H2O2/I− system has been developed for sulfadiazine (SMR) degradation. The addition of 1.5 mM iodide ion (I−) significantly increases the degradation efficiency of SMR from 16.06% to 90.91% by HRP/H2O2, following pseudo-first-order kinetics (r2 = 0.975). Analysis of SMR degradation products by high resolution Q-TOF mass spectrometry shows that SMR degradation mainly involves in iodine substitution, oxidation and polymerization. Iodo-sulfadiazine, as the main intermediates, is gradually degraded overtime. The main mechanism of iodide ion promoting SMR degradation is closely related to the existing forms of iodine. Under the action of HRP/H2O2, iodide ions are converted into iodine and hypoiodic ions, which are easier to react with SMR by substitution. Molecular simulation shows that iodo-sulfadiazine is easier to bind HRP than SMR due to its stronger binding energy, thus enhancing SMR degradation. The toxicity of degradation products to Bacillus subtilis (model bacteria widely existing in the environment) is as follows: final degradation products < intermediate degradation products < SMR. This study can provide technical support for developing a feasible and sustainable sulfanilamide-containing wastewater treatment solution, and provide reference for the fate and risk assessment of sulfonamide antibiotics in the environment.