Anionic Complexes Research Articles

Mono‐, Di‐, and Trinuclear Complex Anions of RuF5 in Rb[RuF6], Cs[Ru2F11], and [O2][Ru3F16

Herein, we report the synthesis of Rb[RuF6], Cs[Ru2F11], and [O2][Ru3F16] containing mononuclear [RuF6]−, dinuclear [Ru2F11]− and trinuclear [Ru3F16]− anions, respectively, and their characterization by single crystal X‐Ray diffraction. Such a trinuclear anion is described for Ru for the first time. Rb[RuF6] was additionally investigated by Raman spectroscopy while Cs[Ru2F11] was studied by IR and Raman spectroscopy. The fluoride ion affinity of RuF5 and the hypothetic molecules Ru2F10 and Ru3F15 was studied by quantum‐chemical calculations and shown to decrease with increasing nuclearity in contrast to SbxF5∙x species. Intrinsic bond orbital calculations show essentially ionic µ‐F–Ru bonds in the anions [Ru2F11]− and [Ru3F16]−.

A New Bis-Urea Based Cage Receptor for Anions: Synthesis, Solid State Structures and Binding Studies.

The synthesis and characterization of a novel bis-urea-based cage receptor for anions (3S,15S)-3,15,20,25-tetramethyl-1,4,6,12,14,17,20,25-octaazatricyclo[15.5.5.17.11]octacosa-7(28),10-diene-2,5,13,16-tetraone (L) is reported. L is a macro-bicyclic ligand built on the 1,7-dimethyl-1,4,7,10-tetraazacyclododecane scaffold to obtain a cage topology in which two ureido moieties have been inserted as binding sites for anions. L can interact with anion guests (G) via H-bonding; in particular, it binds both spherical (Cl-) and V-shaped anions (AcO-) as well as more complex carboxylate anions, such as the norfloxacin (Nor-). NMR experiments highlight that the interaction between L and G mainly occurs at the ureido moieties. L forms L-G adducts of 1 : 1 ([LG]-) and 1 : 2 ([LG2]2-) stoichiometry with Cl- and AcO-. Otherwise, in the case of Nor- only the formation of the [LG]- complex is observed. L shows higher formation constants values for [LAcO]- (2.9) and [LNor]- (3.6) than [LCl]- suggesting a stronger interaction with the carboxylate anions. In the solid state, three crystal structures of the HL⋅G species were obtained (G=Cl-, AcO-, ClO4 -) highlighting the H-bonding interaction between the chloride, acetate or perchlorate anions and the -NH functions of the ureido fragment. The comparison between the two parent open chain receptors (Lb-c) and L has been reported and discussed.

CHARACTERIZATION OF NEW MIXED AND HYBRID INORGANIC-ORGANIC MATERIALS BASED ON PHOSPHATES BY INFRARED SPECTROSCOPY

In this work we synthesized three inorganic-organic hybrid organic phosphate compounds of current interest due to their fascinating architectures and potential applications in supramolecular chemistry engineeringThese compounds were characterized mainly by elementary analysis and IR spectroscopies. they were synthesized from a reaction carried out in a common organic solvent between the monocyclohexylamine phosphate and〖SnBu〗_2 〖Cl〗_2 〖Y(CH〗_3 〖CO〗_2 )_(3.) or D_y 〖Cl〗_3.. Structures involving complex anions have been proposed. Structures involving complex anions have been proposed. In phosphate compounds, the anion is present in the form of〖HPO〗_4^(2-)and 〖HPO〗_4^(2-)The structures obtained are of the infinite type, monomer or with double metallic components. Phosphato compounds with rare earths gave new monomeric or double metallic component structures. The nine coordination (9) found in one of the metallic components is a coordination that we find with rare earths. The structural study of its complexes has shown that these cordination complexes can present promising catalytic activity for the oxidation and degradation of compounds such as methylene blue.

Chalcogen Bonds Enable Efficient Photoreduction of Sulfur-Containing Heterocycles.

Chalcogen bonding interactions have attracted significant attention in a broad chemistry community, with a particular focus on their ability to stabilise the key transition states in various organic synthetic routes. In this work, we demonstrate that they can also be harnessed in selective photoredox reactions, which cannot be otherwise achieved with alternative approaches to photoreduction. We demonstrate this concept through the photoreduction of the sulfur-containing DNA nucleoside precursor thioanhydrouridine to 2'-deoxy-thiouridine, revealing the previously unrecognized role of bisulfide in this process. Based on quantum chemical simulations, we identify a stable chalcogen-bonding complex of the hydrosulfide anion and thionhydrouridine (HS-⋅⋅⋅S contacts), which enables directional photoinduced electron transfer, resulting in the formation of non-canonical DNA nucleoside. We also disprove the possibility that photoreduction of thioanhydronucleosides could be initiated by hydrated electrons generated from irradiated bisulfide anions which do not interact with the chromophore. Finally, we show that selective photoreduction mediated by chalcogen bonds can only occur for chromophores, which exhibit sufficiently long excited-state lifetimes in the locally-excited states to undergo transition to the productive charge transfer state. These findings can be further used in the design of similar photoredox reactions which can employ the potential of chalcogen bonding interactions.

An advanced separation method for the acquisition of 212Pb/212Bi from natural thorium

212Pb/212Bi hold significant potential for targeted cancer therapy; however, their supply remains severely limited. The extraction of 212Pb/212Bi from natural thorium is expected to fundamentally address this issue. This study proposes and verifies a new, efficient and low-cost method for separating 212Pb/212Bi from natural 232Th by investigating the separation behavior and mechanism of a silica-supported anion exchange resin (SiPyR-N4) toward multiple types of metal cations in hydrochloric solution. The experimental results demonstrated that SiPyR-N4 was successfully prepared with a uniform shape, porous structure, and containing quaternary amines. SiPyR-N4 showed extremely high selectivity for Pb2+ and Bi3+, but no affinity for Th4+, La3+, and Ba2+. The adsorption speed was more than six times as fast as traditional resins, providing significant advantages in the separation of short-lived nuclides. The hot separation experiment suggested that 212Pb and 212Bi were successfully isolated from natural 232Th by using natural thorium as the raw material, and the long-lived nuclides were removed completely. The selective separation mechanism was attributed to Pb2+ and Bi3+ forming anionic complexes in the hydrochloric acid medium, while Th4+, Ra2+, and Ac3+ did not form such complexes. Pb2+ and Bi3+ were bound to the active sites via chloride bridges, with [PbCl3]− and [BiCl6]3− serving as the main adsorbed species. This study is the first to report the direct and selective separation of 212Pb and 212Bi from 232Th decay chains using non-crown ether materials, and it provides an excellent material candidate for the separation of short-lived nuclides, showing significant application potential in the future.

The Relationship Between Spin Crossover (SCO) Behaviors, Cation and Ligand Motions, and Intermolecular Interactions in a Series of Anionic SCO Fe(III) Complexes with Halogen-Substituted Azobisphenolate Ligands.

To investigate the halogen substitution effect on the anionic spin crossover (SCO) complexes, azobisphenolate ligands with 5,5'-dihalogen substituents from fluorine to iodine were synthesized, and their anionic FeIII complexes 1F, 1Cl, 1Br, and 1I were isolated. The temperature dependence of magnetic susceptibility and crystal structure revealed that 1F, 1Cl, and 1Br are all isostructural and exhibit SCO with the rotational motion of the cation and ligands, whereas 1I shows incomplete SCO. Note that 1Cl and 1Br showed irreversible and reversible cooperative SCO transitions, respectively. Short intermolecular contacts between the FeIII complex anions were found despite Coulomb repulsions for all the complexes. The topological analysis of the electron density distributions revealed the existence of X···X halogen bonds, C-H···X, C-H···N, and C-H···O hydrogen bonds, and C-H···π interactions are evident. The dimensionality of intermolecular interactions is suggested to be responsible for the cooperative SCO transitions in 1Cl and 1Br, whereas the disorder due to the freezing of ligand rotations in 1Cl is revealed to inhibit the SCO cooperativity.

Solvent-Directed Social Chiral Self-Sorting in Pd2L4 Coordination Cages.

A family of Pd2L4 cages prepared from ligands based on an axially chiral diamino-[1,1'-biazulene] motif (serving as a unique azulene-based surrogate of the ubiquitous BINOL moiety) is reported. We show that preparing a cage starting from the racemate of a shorter bis-monodentate ligand derivative, equipped with pyridine donor groups, leads to integrative ("social") chiral self-sorting, exclusively yielding the meso-trans product, but only in a selection of solvents. This phenomenon is driven by individual solvent molecules acting as hydrogen bonding tethers between the amino groups of neighboring ligands, thereby locking the final coordination cage in a single isomeric form. The experimental (solvent-dependent NMR, single-crystal X-ray diffraction) observations of this cooperative interaction could be explained by computational analyses only when explicit solvation was considered. Furthermore, we prepared a larger chiral ligand with isoquinoline donors, which, unlike the first one, does not undergo social self-sorting from its racemic mixture, further highlighting the importance of solvents bridging short distances between the amino groups. Homochiral cages formed from this larger ligand, however, furnish a cavity that can bind anionic and neutral metal complexes such as [Pt(CN)6]2- and Cr(CO)6 and discriminate between the two enantiomers of chiral guest camphor sulfonate.

Modification of the Spin Transition Properties in Hetero‐Anionic Iron(II)‐Triazole Complexes

AbstractThe phenomenon which is called spin crossover is known to occur in some coordination compounds with an octahedral ligand field and electron configurations from 3d4 to 3d7. Thereby, a reversible transition between spin states (high spin and low spin state) is possible, through several external stimuli. Iron(II) triazole complexes exhibit this phenomenon at a wide range of temperatures depending on the ligands and anions used. For this reason, they are often considered for several possible practical applications. It is also possible to combine ligands or anions to modify the transition temperature. The latter of which was rarely discussed in the past. In this study we synthesized a series of iron(II)‐4‐Aminotriazole complexes, with different ratios of chloride‐ and tetrafluoroborate‐anions, of the formula [Fe(Atrz)3]Cl2−X(BF4)X. We show that the combination of these anions leads to transition temperatures between those of their corresponding pure anion complexes. We furthermore present that a simple modification of the synthesis leads to a possible easy way of fine‐tuning transitions temperatures.

Nucleophilic Fluoride Anion Delivery from Triazacyclononane-Supported Molecular Ca-F Complexes.

The major source of fluoride, namely calcium difluoride (CaF2), is derived from the mineral fluorspar. Recent advances in the activation of CaF2 via mechanochemical methods have inspired investigation of the fundamental properties of Ca-F bonds in molecular complexes. However, the paucity of well-defined molecular Ca-F-containing complexes undermines systematic understanding of the factors governing nucleophilic fluoride delivery. Here we report the use of a multidentate bis(phenoxide) ligand based on a 1,4,7-triazacyclononane (TACN) scaffold for the formation of well-defined Ca-F complexes and demonstrate their capabilities in fluoride delivery. Key to this synthesis is a desymmetrization step carried out on the TACN ligand within the Ca coordination sphere. A series of stable anionic dinuclear calcium fluoride complexes has then been accessed and characterized by NMR spectroscopy (critically by 19F NMR) and X-ray crystallography. Nucleophilic fluoride delivery can be used to generate C-F, Si-F and S-F bonds, with a notable advance over amide-derived ligand scaffolds being the reduced extent of side reactions derived from competing attack on the electrophile by the less nucleophilic O-donor anionic ligand set.

Modulating Interfacial Solvation via Ion Dipole Interactions for Low-Temperature and High-Voltage Lithium Batteries.

Extending the stability of ether solvents is pivotal for developing low-temperature and high-voltage lithium batteries. Herein, we elucidate the oxidation behavior of tetrahydrofuran with ternary BF4-, PF6- and difluoro(oxalato)borate anions and the evolution of interfacial solvation environment. Combined in-situ analyses and computations illustrate that the ion dipole interactions and the subsequent formation of ether-Li+-anion complexes in electrolyte rearrange the oxidation order of solvated species, which enhances the electrochemical stability of ether solvent. Furthermore, preferential absorption of anions on the surface of high-voltage cathode favors the formation of a solvent-deficient electric double layer and an anti-oxidation cathode electrolyte interphase, inhibiting the decomposition of tetrahydrofuran. Remarkably, the formulated electrolyte based on ternary anion and tetrahydrofuran solvent endows the LiNi0.8Co0.1Mn0.1O2 cathode with considerable rate capability of 5.0 C and high capacity retention of 93.12% after 200 cycles. At a charging voltage of 4.5 V, the Li||LiNi0.8Co0.1Mn0.1O2 cells deliver Coulombic efficiency above 99% at both 25 and -30 °C.

Modulating Interfacial Solvation via Ion Dipole Interactions for Low‐Temperature and High‐Voltage Lithium Batteries

Extending the stability of ether solvents is pivotal for developing low‐temperature and high‐voltage lithium batteries. Herein, we elucidate the oxidation behavior of tetrahydrofuran with ternary BF4‐, PF6‐ and difluoro(oxalato)borate anions and the evolution of interfacial solvation environment. Combined in‐situ analyses and computations illustrate that the ion dipole interactions and the subsequent formation of ether‐Li+‐anion complexes in electrolyte rearrange the oxidation order of solvated species, which enhances the electrochemical stability of ether solvent. Furthermore, preferential absorption of anions on the surface of high‐voltage cathode favors the formation of a solvent‐deficient electric double layer and an anti‐oxidation cathode electrolyte interphase, inhibiting the decomposition of tetrahydrofuran. Remarkably, the formulated electrolyte based on ternary anion and tetrahydrofuran solvent endows the LiNi0.8Co0.1Mn0.1O2 cathode with considerable rate capability of 5.0 C and high capacity retention of 93.12% after 200 cycles. At a charging voltage of 4.5 V, the Li||LiNi0.8Co0.1Mn0.1O2 cells deliver Coulombic efficiency above 99% at both 25 and ‐30 °C.

Study on photodissociation spectra and decay pathways of gas-phase PdCl3– and PdCl2– anions by electrospray ionization mass spectrometry and MRCI calculation

We investigate photodissociation of the gas-phase palladium complex anions, Pd(II)Cl3- and Pd(I)Cl2-, both experimentally and theoretically. Visible photodissociation mass spectrometry reveals that the main dissociation channels differ for Pd(II)Cl3- and Pd(I)Cl2-; the former yields neutral chlorine atom (Pd(I)Cl2- + Cl) whereas the latter affords chloride anion (Pd(I)Cl + Cl-). Absorption spectrum and photodissociation channels are predicted using the MRCI method. The observed absorption spectrum and dissociation product for Pd(II)Cl3- agree with the MRCI calculation, whereas those for Pd(I)Cl2- do not, which suggests that some relaxation process such as internal conversion significantly contributes to the photodissociation of Pd(I)Cl2-.

The chlorine evolution of arc magmas and the crustal water filter

Degassing of water from magmatic systems is key to transporting metals from magmas to form ore deposits, but elements like chlorine, through the formation of anion complexes, can be important in solubilizing and mobilizing these metals into water-rich fluids. Reconstructing the Cl systematics of evolving magmas is thus an important step towards understanding the origins of ore deposits, but the magmatic record is not well preserved because Cl can be lost during degassing. Here, we reconstruct the pre-degassing history of Cl in subduction zone (arc) magmas through amphiboles, which incorporate Cl directly into their crystal structures, preserving pre-eruptive magmatic signatures. Amphibole-reconstructed Cl contents indicate that magmatic differentiation can lead to a 4-fold increase in concentration due to Cl's incompatible behavior. The amphibole-reconstructed Cl contents of arc magmas are also significantly higher than values reported from melt inclusions, suggesting that many melt inclusions may have been trapped after magmas had already lost some Cl. We show that such Cl loss is likely associated with preferential partitioning of Cl into hydrous fluids degassed from the magma during crustal storage or ascent. The extent of Cl depletion can thus be used to estimate how much water was lost during early degassing. If Cl is important to certain ore deposits, magmatic water content may play an indirect role. Magmas too rich in water will lose water and hence Cl at greater depths, rendering such magmas less able to transport metals to the upper crust. By contrast, drier magmas may not produce enough Cl-rich fluids to mobilize metals. Thus, magmas with intermediate water contents may produce enough Cl-rich fluids at the right depths for certain types of ore deposits.

Supramolecular Control of Helicene Circularly Polarized Luminescence Emitters in Molecular Solids and Bright Nanoparticles

AbstractCircularly polarized luminescence (CPL) from chiral molecules is attracting much attention due to its potential use in optical materials. However, formulation of CPL emitters as molecular solids typically deteriorates photophysical properties in the aggregated state leading to quenching and unpredictable changes in CPL behavior impeding materials development. To circumvent these shortcomings, a supramolecular approach can be used to isolate cationic dyes in a lattice of cyanostar‐anion complexes that suppress aggregation‐caused quenching and which we hypothesize can preserve the synthetically‐crafted chiroptical properties. Herein, we verify that supramolecular assembly of small‐molecule ionic isolation lattices (SMILES) allows translation of molecular ECD and CPL properties to solids. A series of cationic helicenes that display increasing chiroptical response is investigated. Crystal structures of three different packing motifs all show spatial isolation of dyes by the anion complexes. We observe the photophysical and chiroptical properties of all helicenes are seamlessly translated to water soluble nanoparticles by the SMILES method. Also, a DMQA helicene is used as FRET acceptor in SMILES nanoparticles of intensely absorbing rhodamine antennae to generate an 18‐fold boost in CPL brightness. These features offer promise for reliably accessing bright materials with programmable CPL properties.

Solvation structures in weakly solvating solvents lead to hybrid vehicular/structural ion transport

Despite the reported benefits of weakly solvating electrolytes (WSEs), investigations on the solvation structures and ion transport mechanisms present in WSEs are limited. This is particularly the case for electrolytes containing the weakly solvating 1,2-diethoxyethane (DEE), which has shown great promise recently. It is for this purpose, we employ molecular dynamics simulations and quantum mechanical calculations to investigate the solvation structure and Li+ transport for lithium bis(fluorosulfonyl)imide (LiFSI) in DEE. From the results reported herein, it was found that at lower concentrations, solvent separated ion pairs are particularly stable, primarily due to the presence of FSI– in the second solvation shell of Li+. As the salt concentration increases, cation–anion complexes appear and form large aggregates. The presence of these large aggregates promotes a hybrid/structural diffusion mechanism at high concentrations, where Li+ ions readily exchange ligands with FSI– anions but remains coordinated with DEE molecules. Hence, the results reported herein investigate how the solvation structure influences transport properties in weakly solvating solvents and provides insights that can be used to optimize electrolytes for energy storage applications.

Delivery system for dexamethasone phosphate based on a Zn2+-crosslinked polyelectrolyte complex of diethylaminoethyl chitosan and chondroitin sulfate

Hybrid nano- and microparticles based on metal ion crosslinked biopolymers are promising carriers for the development of drug delivery systems with improved biopharmaceutical properties. In this work, dexamethasone phosphate-containing particles based on chondroitin sulfate and chitosan or diethylaminoethyl chitosan additionally crosslinked with Zn2+ were prepared. Depending on the polycation/polyanion ratio in the system, anionic and cationic polyelectrolyte complexes (PECs) were obtained. The anionic Zn2+-containing and Zn2+-free PECs had sizes of 154 and 180 nm and ζ-potentials of −22.4 and −27.5 mV, respectively. The cationic Zn2+-containing and Zn2+-free PECs had sizes of 242 and 362 nm and ζ-potentials of 22.4 and 24.7 mV, respectively. The presence of Zn2+ in the system significantly prolonged the release of dexamethasone phosphate from the hybrid polyelectrolyte particle. The resulting release profiles of dexamethasone phosphate were in agreement with the Peppas-Sahlin kinetic model, which considers the combined effects of Fickian diffusion and polymer chain relaxation on the drug release rate. It was shown that the prolongation of drug release was mainly due to swelling and relaxation of the Zn2+ crosslinked polymers. The developed particles exhibited good mucoadhesive properties and pronounced anti-inflammatory activity, making them attractive candidates for biomedical applications.

Mechanism of selectivity of tri-n-octylmethylammonium chloride for vanadium

Ionic liquid (IL)-based extraction is a promising and environmentally benign separation technology. Processes for quaternary ammonium-based IL extraction of vanadium have been extensively studied, but the vanadium extraction mechanism has not been accurately confirmed. This study investigated vanadium extraction from sulphuric acid leachate of shale by solvent extraction with tri-n-octylmethylammonium chloride (TOMAC/CH3NClR3). The results indicated that 90.50 % of the vanadium extraction percentage comprised one stage under the optimal condition experiments. These experiments were carried out at pH 1.8; the IL phase consisted of 25 vol% TOMAC, 15 vol% TBP, and 60 vol% sulfonated kerosene; O/A phase ratio of 1:7.5; extraction time of 120 s. The forms of vanadium and impurities present were revealed by the solution chemistry, Medusa software simulation. The extraction mechanism of vanadium was investigated using ultraviolet spec-trophotometer (UV–Vis), fourier transform infrared spectroscopy (FT-IR), nuclear magnetic resonance spectroscopy (NMR), and hotometer matrix-assisted laser-resolved ionization time-of-flight mass spectra (MALDI-TOF-MS). Under extraction conditions at pH 1.8, vanadium was present as an anion in the form H2V10O4- 28 and HV10O5- 28. Since the extraction mechanism of TOMAC was anion exchange, the extracted vanadium was mainly present as the anionic complex [(CH3NR3)4·H2V10O4- 28]/[(CH3NR3)5·HV10O5- 28]. The ESP map of TOMAC and V (V) was calculated to confirm the reaction sites and was used to verify the anion exchange mechanism.

A Synopsis on CO2 Capture by Synthetic Hydrogen Bonding Receptors.

Carbon dioxide (CO2) is one of the most abundant greenhouse gases in Earth's atmosphere and responsible for global warming. Therefore, aerial CO2 capture and sequestration has become a major task for human community. Though several adsorbents for CO2 including activated carbon, zeolites, metal-organic frameworks (MOFs), and other surface-modified porous materials are well developed, the supramolecular approaches using synthetic hydrogen-bonding receptors are less explored. This review article highlights the synthetic development of various artificial receptors and their properties toward fixation of aerial CO2 as carbonate (CO3 2-), bicarbonate (HCO3 -), or carbamate (-NHCOO-/>NCOO-) ions, induced by excess fluoride (F-) or hydroxide (OH-) ions as their tetrabutylammonium salts. The utilization of encapsulated carbonate/bicarbonate/carbamate complexes in anion exchange metathesis for separation of oxyanions from aqueous solutions are also discussed. In addition, the release of CO2 and regeneration of receptor molecules are described in a number of occasions. Most importantly, the formation of anion complexes as crystalline materials in solid-state is described in terms of supramolecular chemistry and correlated with their solution-state properties. Finally, the types of receptors containing various functional groups are scrutinized in CO2 uptake, storage, and release processes and hints of endeavours for future research are delineated.

Direct synthesis of nickel oxide nanoparticles from pregnant leach solution by using electrodeionization and Fenton processes in the presence of EDTA

This paper presents the results of a novel study on the direct synthesis of nickel oxide nanoparticles from a synthetic pregnant leach solution (PLS) as a middle stage product of hydrometallurgy process of nickel production. To increase the nickel proportion in the initial PLS, electrodeionization was utilized in the presence of EDTA to form an anionic complex ([Ni-EDTA]2−) with Ni2+ cations, allowing their separation from cobalt cations through the EDI process. Subsequently, the Fenton process was applied to synthesize nickel oxide nanoparticles from the complex containing solution. The proposed hybrid process was conducted in two different modes of one-stage and two-stage EDI process followed by the Fenton process. Different analysis methods including AAS, XRD, FE-SEM, and ICP were used for qualitative and quantitative evaluations. The analyses’ results revealed that by implementing one-stage EDI process followed by Fenton process resulted in producing nickel oxide nanoparticles with an average particle size of 45 nm and purity of about 98 %. Also, it was seen that about 81 % of initial nickel content of the initial PLS was recovered as nickel oxide nanoparticles. In the case of two-stage EDI process, 100 % pure nickel oxide nanoparticles with average size of 55 nm and recovery of 65 % was produced. The results showed that the innovative hybrid EDI/Fenton process can be considered as a promising approach for direct synthesis of high purity nickel oxide nanoparticles from PLS. However, it should be noted that there was a trade-off between purity of nickel oxide and nickel recovery from PLS.

Adsorption behaviors and mechanisms of gold recovery from thiosulfate solution by ion exchange resin

The adsorption behaviors and mechanisms of gold from thiosulfate solution on strong-base anion exchange resin were systematically investigated. The comparison experiment of adsorption ability and selectivity for gold showed that gel Amberlite IRA-400 resin with Type I quaternary ammonium functional group had better adsorption performance. The increases of resin dosage, ammonia concentration and solution pH were favorable to gold adsorption, whereas the rises of cupric and thiosulfate concentrations were disadvantageous to gold loading. Microscopic characterization results indicated that gold was adsorbed in the form of [Au(S2O3)2]3– complex anion by exchanging with the counter ion Cl– in the functional group of the resin. Density functional theory calculation result manifested that gold adsorption was mainly depended on the hydrogen bond and van der Waals force generated between O atom in [Au(S2O3)2]3– and H atom in the quaternary ammonium functional group of the resin.