Direct Electroanalysis of p‐Nitrophenol (PNP) in Estuarine and Surface Waters by a High Sensitive Type C/p‐NiTSPc Coating Carbon Fiber Microelectrode (CFME)

We report for the first time on the elaboration of a remarkable sensitivity type C/p‐NiTSPc carbon fiber microelectrode (CFME) for p‐nitrophenol (PNP) pollutant. We observed the best performances using square wave voltammetry (SWV) technique in the place of differential pulse voltammetry (DPV). Also the combination of p‐NiTSPc optimized cycles of electrodeposition and accumulation time, helped us to increase remarkably the sensor slope (320 times) and the limit of detection (LOD) (1000 times), with a final LOD of 0.1 µg/L, the current regulatory limit for drinkable waters. Furthermore the recoveries of the standards added are close to 100 % indicating that the method has some suitability. The proposed voltammetric procedure might be applied for organophosphorus pesticides and their by‐products with a remarkable sensing in natural polluted waters.     

Alternating Layers of Iron(III) Tetra(N‐methyl‐4‐pyridyl)‐porphyrin and Copper Tetrasulfonated Phthalocyanine for Amperometric Detection of 4‐Nitrophenol in Nanomolar Levels

The present work describes the development of a highly sensitive amperometric sensor for 4‐NP in nanomolar levels using a glassy carbon electrode modified with alternating layers of CuTSPc and FeT4MPyP. After optimizing the operational conditions, the sensor provided a linear response range for 4‐NP from 5 up to 100 nmol L^?1 with sensitivity, detection, and quantification limits of 14 nA L nmol^?1, 1.9 nmol L^?1, and 5.4 nmol L^?1, respectively. The proposed sensor showed a stable response for at least 200 successive determinations. This modified electrode can be used to the determination of 4‐NP in water samples.     

One‐Step Synthesis of β‐Cyclodextrin Functionalized Graphene/Ag Nanocomposite and Its Application in Sensitive Determination of 4‐Nitrophenol

β‐Cyclodextrin functionalized graphene/Ag nanocomposite (β‐CD/GN/Ag) was prepared via a one‐step microwave treatment of a mixture of graphene oxide and AgNO₃. β‐CD/GN/Ag was employed as an enhanced element for the sensitive determination of 4‐nitrophenol. A wide linear response to 4‐nitrophenol in the concentration ranges of 1.0×10^?8–1.0×10^?7 mol/L, and 1.0×10^?7–1.5×10^?3 mol/L was achieved, with a low detection limit of 8.9×10^?10 mol/L (S/N=3). The mechanism and the heterogeneous electron transfer kinetics of the 4‐nitrophenol reduction were discussed according to the rotating disk electrode experiments. Furthermore, the sensing platform has been applied to the determination of 4‐nitrophenol in real samples.     

Highly Selective and Sensitive Copper(II) Membrane Sensors Based on 6‐Methyl‐4‐(1‐phenylmethylidene)amino‐3‐thioxo‐1,2,4‐triazin‐5‐one as a New Neutral Ionophore

A new Cu(II) ion‐selective PVC membrane sensor based on 6‐methyl‐4‐(1‐phenylmethylidene)amino‐3‐thioxo‐1,2,4‐triazin‐5‐one (MATTO) as an excellent sensing material was developed. The electrode exhibits a Nernstian slope of 29.2±0.4 mV per decade over a very wide concentration range between 1.0×10^?1 and 1.0×10^?6 M, with a detection limit of 4.8×10^?7 M (30.5 ng/mL). The sensor possesses the advantages of short conditioning time, fast response time (<10 s), and especially, very good selectivity towards transition and heavy metal, and some mono, di and trivalent cations. The proposed electrode was successfully applied to the determination of copper in wastewater of copper electroplating samples and as an indicator electrode in potentiometric titration of Cu(II) ions with EDTA.     

Electrochemiluminescence Based on Solid State Tri(4,7‐diphenyl‐1,10‐phenanthroline) Ruthenium(II) Ditetrakis(4‐chlorophenyl) Borate Immobilized on Carbon Fibers

A simple method for immobilization of tri(4,7‐diphenyl‐1,10‐phenanthroline) ruthenium(II) ditetrakis(4‐chlorophenyl) borate ([Ru(dpp)₃][(4‐Clph)₄B]₂) on carbon fiber electrodes was developed. Excellent electrochemical activity and electrochemiluminescence (ECL) signal of the coated carbon fiber electrodes were observed using oxalate as the co‐reactant. In addition, the effects of pH, scan rate, nitrogen and oxygen on ECL intensity were also studied. To demonstrate the reliability, the coated carbon fiber electrodes were used as ECL detectors and very low concentration of phenol was detectable (5.0×10^?8 M).     

Iron(II) and Nickel(II) Complexes of N‐Alkylimidazoles and 1‐Methyl‐1H‐1, 2, 4‐Triazole: X‐ray Studies,Magnetic Characterization,and DFT Calculations

Using the ligands N‐methylimidazole ( MeIm ), N‐ethylimidazole ( EtIm ), N‐propylimidazole ( PrIm ), and 1‐methyl‐1H‐1, 2, 4‐triazole ( MeTz ) three series with a total of 13 iron(II) complexes were isolated. The series comprise of the following complexes: (a) [Fe( MeIm )₆](ClO₄)₂ ( 1 ), [Fe( EtIm )₆](ClO₄)₂ ( 2 ), [Fe( PrIm )₆](ClO₄)₂( 3 ), [Fe( MeTz )₆](ClO₄)₂ ( 4 ), [Fe( MeIm )₆](MeSO₃)₂ ( 5 ), [Fe( EtIm )₆](MeSO₃)₂ ( 6 ), and [Fe( MeTz )₆](BF₄)₂ ( 10 ); (b) [Fe( MeIm )₄(MeSO₃)₂]( 7 ), [Fe( EtIm )₄(MeSO₃)₂] ( 8 ), and [Fe( PrIm )₄(MeSO₃)₂] ( 9 ); (c) [Fe( MeIm )₄(NCS)₂] ( 15 ), [Fe( EtIm )₄(NCS)₂] ( 16 ), and [Fe( MeTz )₄(NCS)₂] ( 17 ). Single crystal X‐ray diffraction studies were performed on 7 – 10 and 15 – 17 . Temperature dependent magnetic susceptibility measurements were performed on selective examples of all series, and confirmed them to be in the HS state over the range 6–300 K. DFT calculations were performed at BP86/def‐SV(P) and TPSSh/def2‐TZVPP level on all [Fe L ₆]²⁺ complex cations and the neutral complexes 7 – 9 and 15 – 17 . Additionally the four homoleptic nickel(II) complexes [Ni L ₆](ClO₄)₂ ( 11 : L = MeIm ; 12 : L = EtIm ; 13 : L = PrIm ; 14 : L = MeTz ) were synthesized and compounds 11 – 13 structurally characterized. UV/Vis/NIR spectroscopic measurements were carried out on all homoleptic iron(II) and nickel(II) complexes. The 10Dq values were determined to be in the range of 11547–11574 and 10471–10834 cm^–1 for the iron(II) and nickel(II) complexes, respectively.     

Electrochemical Reduction of 4,4′‐(2,2,2‐Trichloroethane‐1,1‐diyl)‐ bis(chlorobenzene) (DDT) and 4,4′‐(2,2‐Dichloroethane‐1,1‐diyl)‐ bis(chlorobenzene) (DDD) at Carbon Cathodes in Dimethylformamide

In dimethylformamide containing tetramethylammonium tetrafluoroborate, cyclic voltammograms for reduction of 4,4′‐(2,2,2‐trichloroethane‐1,1‐diyl)bis(chlorobenzene) (DDT) at a glassy carbon cathode exhibit five waves, whereas three waves are observed for the reduction of 4,4′‐(2,2‐dichloroethane‐1,1‐diyl)bis(chlorobenzene) (DDD). Bulk electrolyses of DDT and DDD afford 4,4′‐(ethene‐1,1‐diyl)bis(chlorobenzene) (DDNU) as principal product (67–94%), together with 4,4′‐(2‐chloroethene‐1,1‐diyl)bis(chlorobenzene) (DDMU), 1‐chloro‐4‐styrylbenzene, and traces of both 1,1‐diphenylethane and 4,4′‐(ethane‐1,1‐diyl)bis(chlorobenzene) (DDO). For electrolyses of DDT and DDD, the coulometric n values are essentially 4 and 2, respectively. When DDT is reduced in the presence of a large excess of D₂O, the resulting DDNU and DDMU are almost fully deuterated, indicating that reductive cleavage of the carbon–chlorine bonds of DDT is a two‐electron process that involves carbanion intermediates. A mechanistic scheme is proposed to account for the formation of the various products.     

Sensitive Voltammetric Determination of Cadmium(II) with 8‐Hydroxyquinoline and Ionic Liquid Modified Carbon Paste Electrode

In this paper 8‐hydroxyquinoline (HQ) and ionic liquid (IL) modified carbon paste electrode was fabricated and used for the sensitive determination of cadmium(II) with differential pulse anodic stripping voltammetry (DPASV). The modified electrode was prepared by the addition of HQ and IL 1‐ethyl‐3‐methylimidazoliam ethylsulphate as the modifiers into the traditional carbon paste mixture. Cd(II) was preconcentrated and reduced on the surface of the modified electrode at the potential of ‐1.0 V (vs. SCE) by the co‐contributions from the formation of HQ‐Cd(II) complex and the accumulation effect of IL. Then the reduced Cd on the electrode surface was reoxidized by DPASV with a sensitive oxidation peak appeared at ‐0.79 V (vs. SCE). Under the optimal conditions the oxidation peak current was proportional to the Cd(II) concentration in the range from 0.03 to 2.0 mol/L with the detection limit as 5.0 nmol/L (3σ). The proposed method was successfully applied to the water samples detection with the recovery in the range from 95.6% to 96.6%.     

Synthesis of New Reagent 2,6‐Diacetylpyridine Bis‐4‐Phenyl‐3‐Thiosemicarbazone (2,6‐DAPBPTSC): Selective,Sensitive and Extractive Spectrophotometric Determination of Co(II) in Vegetable,Soil, Pharmaceutical and Alloy Samples

New synthesized reagent 2,6‐diacetylpyridine bis‐4‐phenyl‐3‐thiosemicarbazone (2,6‐DAPBPTSC) is proposed as a sensitive and selective analytical reagent for the extractive spectrophotometric determination of cobalt(II). Cobalt(II) forms a reddish brown colored complex with 2,6‐DAPBPTSC, which is extracted into isoamylalcohol, under optimum conditions. The maximum absorption of the isoamylalcohol extract is measured at 400 nm. Beer's law is applied in the range 0.6‐6.0 ppm of cobalt(II). The molar absorptivity and Sandell's sensitivity of the complex is calculated as 2.2 × 10⁴ L mol^?1 cm^?1 and 2.68 × 10^?3 μg cm^?2, respectively. An adequate linearity with a correlation coefficient value of 0.969 is obtained for the Co(II)‐2,6‐DAPBPTSC complex. The instability constant of the complex, calculated from Asmus' method is 3.75 × 10^?4 The precision and accuracy of the method is checked with calculation of relative standard deviation (n = 5), 0.388 and the detection limit a value is 0.0028 μg mL^?1. The method is successfully employed for the determination of cobalt(II) in real samples, such as vegetables, soil, water samples, standard alloy samples, and the performance of the present method was evaluated in terms of Student ‘t’ test and Variance ‘f’ test, which indicates the significance of the present method is an inter comparison of the experimental values, using atomic absorption spectrometer (AAS).     

Construction of a Highly Selective and Sensitive La(III) Sensor Based on N‐(2‐Pyridyl)‐N′‐(4‐methoxyphenyl)‐thiourea for Nano Level Monitoring of La(III) Ions

N‐(2‐Pyridyl)‐N′‐(4‐methoxyphenyl)‐thiourea (PMPT) was found to be a suitable neutral ion carrier for the construction of a highly selective and sensitive La(III) membrane sensor. Poly(vinyl chloride) (PVC) based membranes of PMPT with potassium tetrakis (p‐chlorophenyl) borate (KTpClPB) as an anionic excluder and oleic acid (OA), dibutyl phthalate (DBP), benzyl acetate (BA) and o‐nitrophenyloctyl ether (NPOE) as plasticizing solvent mediators were constructed and investigated as La(III) membrane sensors. A membrane composed of PMPT‐PVC‐KTpClPB‐BA with the ratio 8.0 : 35.0 : 3.0 : 54.0 works well over a very wide concentration range (4.0×10^?8 to 1.0×10^?1 M) with a Nernstian slope of 19.6±0.2 mV per decade of activity between pH values of 4.0 and 9.0. The detection limit of the sensor was calculated to be 2.0×10^?8 M (ca. 3.0 ppb). The sensor displays very good discrimination toward La(III) ions with regard to most common metal ions and lanthanide ions. The proposed sensor shows a short response time for whole concentration range (ca. 12 s). For evaluation of the analytical applicability of the La(III) sensor, it was successfully used as an indicator electrode for the titration of La(III) ions with EDTA. It was also applied to the determination of fluoride content of two mouth wash preparation samples and monitoring of La(III) ions in some binary and ternary mixtures.     

A Simple and Efficient Electrochemical Sensor for Electrocatalytic Reduction of Nitrite Based on Poly(4‐aminoacetanilide) Film Using Carbon Paste Electrode

In this study, the electrochemical reduction of nitrite was investigated on poly(4‐aminoacetanilide) (PPAA) forming by cyclic voltammetry at the surface of carbon paste electrode. The electrochemical properties of the modified electrode have been studied by cyclic voltammetry and double potential step chronoamperometry. Results showed that in the optimum condition (pH = 0.00) the reduction of nitrite occurred at a potential about 667 mV more positive than that unmodified carbon paste electrode. This amount of electrocatalytic ability is high compared with other electrocatalysts. Using a chronoamperometric method, the catalytic rate constant (k) was calculated 8.4 × 10⁴ cm³ mol^‐1 s^‐1. Also, the electrocatalytic reduction peak currents was found to be linear with the nitrite concentration in the ranges of 5 × 10^‐4 M to 2.5 × 10^‐2 M and 2 × 10^‐5 M to 7 × 10^‐3 M with detection limits (2σ) were determined as 4.5 × 10^‐4 M and 1 × 10^‐5 M by cyclic voltammetry (CV) and hydrodynamic amperometry methods respectively. Recovery experiments exhibit the satisfactory results.     

2,2‐Bis(3‐Amino‐4‐hydroxyphenyl)hexafluoropropane Modified Glassy Carbon Electrodes as Selective and Sensitive Voltammetric Sensors. Selective Detection of Dopamine and Uric Acid

2,2‐bis(3‐Amino‐4‐hydroxyphenyl)hexafluoropropane (BAHHFP) was electro‐polymerized oxidatively on glassy carbon by cyclic voltammetry. The activity of the modified electrode towards ascorbic acid (AA), uric acid (UA) and dopamine (DA) was characterized with cyclic voltammetry and differential puls voltammetry (DPV). The findings showed that the electrode modification drastically suppresses the response of AA and shifts it towards more negative potentials. Simultaneously an enhancement of reaction reversibility is seen for DA and UA. Unusual, selective preconcentration features are observed for DA when the polymer‐modified electrode is polarized at negative potential. In a ternary mixture containing the three analytes studied, three baseline resolved peaks are observed in DPV mode. At physiological pH 7.4, after 5 min preconcentration at ?300 mV, peaks positions were ?0.073, 0.131 and 0.280 V (vs. Ag/AgCl) for AA, DA and UA, respectively. Relative selectivities DA/AA and UA/AA were over 4000 : 1 and 700 : 1, respectively. DA response was linear in the range 0.05–3 μM with sensitivity of 138 μA μM^?1 cm^?2 and detection limit (3σ) of 5 nM. Sensitive quantification of UA was possible in acidic solution (pH 1.8). Under such conditions a very sharp peak appeared at 630 mV (DPV). The response was linear in the range 0.5–100 μM with sensitivity of 4.67 μA μM^?1 cm^?2 and detection limit (3σ) of 0.1 μM. Practical utility was illustrated by selective determination of UA in human urine.     

Highly Selective and Sensitive Membrane Sensors for Copper(II) Ion Based on a New Benzo‐Substituted Macrocyclic Diamide 6,7,8,9,10‐Hexahydro‐2H‐1,13,4,7,10‐benzodioxatriazacyclopentadecine‐3,11(4H,12H)‐dione

Novel PVC membrane (PME) and coated graphite (CGE) Cu²⁺‐selective electrodes based on 5,6,7,8,9,10‐hexahydro‐2H‐1,13,4,7,10‐benzodioxatriazacyclopentadecine‐3,11(4H,12H)‐dione are prepared. The electrodes reveal a Nernstian behavior over wide Cu²⁺ ion concentration ranges (1.0×10^?7–1.0×10^?1 M for PME and 1.0×10^?8–1.0×10^?1 M for CGE) with very low limits of detection (7.8×10^?8 M for PME and 9.1×10^?9 M for CGE). The potentiometric responses are independent of the pH of the test solutions in the pH range 2.7–6.2. The proposed electrodes possess very good selectivities for Cu²⁺ over a wide variety of the cations including alkali, alkaline earth, transitions and heavy metal ions. The practical utility of the proposed electrodes have been demonstrated by their use in the study of interactions between copper ions and human growth hormone (hGH) in biological systems, potentiometric titration of copper with EDTA and determination of copper content of a sheep blood serum sample and some other real samples.     

Electrochemical Sensor for Sensitive Determination of Ga(III) Ion Based on β‐Cyclodextrin Incorporated Multi‐walled Carbon Nanotubes and Imprinted Sol‐gel Composite Film

A novel sensor for detection of trace gallium ion [Ga(III)] was created by stepwise modification of a gold electrode with β‐cyclodextrin (β‐CD)/multi‐walled carbon nanotubes (MWCNTs) and an ion imprinted polymer (IIP). The sensor surface morphology was characterized by scanning electron microscopy. The electrochemical performance of the imprinted sensor was investigated by cyclic voltammetry, differential pulse voltammetry and chronoamperometry. The sensor displayed excellent selectivity towards the target Ga(III) ion. Meanwhile, the introduced MWCNTs displayed noticeable catalytic activity, and β‐CD demonstrated significant enrichment capacity. A linear calibration curve was obtained covering the concentration range from 5.0×10^?8 to 1.0×10^?4 mol·L^?1, with a detection limit of 7.6×10^?9 mol·L^?1. The proposed sensor was successfully applied to detect Ga(III) in real urine samples.     

Electrochemical Studies on New Chelating Compounds of the Mono‐ and Bis(imidazolyl)pyridine Type

Recently designed and synthetized mono‐imidazolinone (I and III) and bisimidazolinone (II and IV) chelating ligands were electrochemically characterized at mercury and carbon paste electrodes. Based on polarographic, voltammetric and coulometric investigations in buffered aqueous media, the general reduction pathway has been suggested. Reduction of the mono‐imidazolinone derivatives proceeds in acidic and neutral media in two two‐electron steps. In the first step, the 2,3‐C?N double bond of the imidazolone ring is reduced yielding a mixture of two diastereoisomers (V and VI). In the second step, the 2,3‐C? N single bond (in protonated form) is further reductively split and as the only final product the compound VII was formed. Both intermediates (V and VI) as well as the final product (VII) were prepared using controlled potential electrolysis on the first and second wave, respectively, isolated and identified by means of NMR. The reduction of bis‐derivatives proceeds most probably in an analogical way: in the first step, both imidazoles are reduced simultaneously at the same potential, whereas the following reduction (ring‐opening) proceeds stepwise. In the case of compound III, the covalent hydration of the parent compound takes place in acidic media, partially preventing its reduction. Finally, voltammetric behaviour of mono‐ and bisimidazolinones at carbon paste electrode is also discussed and, in prospect, possible electroanalytical applications outlined.     

Transient Absorption Spectral characterization of Electron Transfer between Fullerenes（C60／C70）and N,N,N’，N’—Tetra（p—methylphenyl）—4,4’—diamino—1,1’—diphenyl Sulphide（TPDAS）

In search of new systems with a photoexcited redox pair which exhibits a strong and stable photoinduced absorption band to understand the photophyscial and photochemical properties of electron transfer between fullernes (C60/C70) and organic donor[N,N,N’，N’-tetra(p-methylphenyl)-4,4’-diamino-1,1’-diphenyl sulphide(TPDAS)],we studied characteristic absorption spectra in the near-IR region obtained from 532nm nanosecond laser flash photolysis of a mixture of the fullerenes (C60/C70) and TPDAS in polar solvents.When fullerenes (C60/C70)were photoexcithed,the rise of the radical anion of fullerenes (C60/C70)with the rapid decay of their excited triplet states were observed in benzonitrile.It can be deduced that the electron transfer reaction does take place from TPDAS to excithed triplet state of rullerens(C60/C70).The rate consants(ket)and quantum yiekls(φet) of this process have been also evaluated.     

Supramolecular Architectures of Four New Transition Metal Complexes with 3‐[4‐(Carboxymethoxy)phenyl]propanoic Acid and N‐[4‐(Carboxymethoxy)phenyl]iminodiacetic Acid

Four new transition metal complexes: [Cu(Hcppa)₂(H₂O)₂] ( 1 ), [Co₂(cppa)₂(H₂O)₁₀] ( 2 ), [Co₃(cpia)₂(H₂O)₈] · 2H₂O ( 3 ) and [Ni₃(cpia)₂(H₂O)₁₂] · 6H₂O ( 4 ) {H₂cppa = 3‐(4‐(carboxymethoxy)phenyl]propanoic acid; H₃cpia = N‐[4‐(carboxymethoxy)phenyl]iminodiacetic acid} were synthesized and characterized. Complexes 1 and 2 show mononuclear structures, complexes 3 and 4 exhibit dinuclear structures. All complexes extend to 3D supramolecular networks through hydrogen bonds, of which complexes 3 and 4 display microporous structures. In complexes 2 – 4 the water clusters are trapped by the cooperative association of coordinate interactions as well as hydrogen bonds, forming different 1D metal‐water chain structures. Thermal stabilities of complexes 1 – 4 were discussed.     

Highly Selective and Sensitive Triiodide PVC‐Membrane Electrode Based on a New Charge‐Transfer Complex of Bis(2,4‐Dimethoxybenzaldehyde)butane‐2,3‐Dihydrazone with Iodine

In this work, a highly selective membrane triiodide sensor based on a new charge‐transfer complex of bis(2,4‐dimethoxybenzaldehyde)butane‐2,3‐dihydrazone with iodine (Iodide Charge Transfer complex: ICT) as membrane carrier is introduced. The influences of five different solvent mediators on sensitivity and selectivity of the proposed sensor were considered. The best performance was obtained with the membrane composition containing 30% poly (vinyl chloride), 63% DBP, 5% ICT and 2% HTAB. The electrode shows a Nernstian behavior over a very wide triiodide ion concentration range (1.0 × 10^?7‐1.0 × 10^?2 M), and a detection limit value of 8.0 × 10^?8 M. The effect of pH on the potentiometric response of the sensor was also studied, and it was found that the response of the electrode is independent of the pH of the solution in the pH range of 4.0–10. The proposed sensor has a very fast response time (< 12 s), and good selectivities relative to a wide variety of common inorganic and organic anions, including iodide, acetate, bromide, chloride, fluoride, nitrite, nitrate, sulfite, sulfate, cyanide and thiocyanate. In fact the selectivity behavior of the proposed triiodide ion‐selective electrode shows great improvements compared to the previously reported electrodes for triiodide ion. The proposed membrane sensor can be used for at least 6 months without any divergence in the potentials. The electrode was successfully applied as an indicator electrode in the titration of triiodide with thiosulfate ion.     

Synthesis and Characterization of HgII/Se/CuI Multinuclear Compounds from Mercury(II) Bis(p‐aminobenzeneselenolate) – Hg(SeC6H4NH2‐p)2

In this paper we explore an amino functionalized selenolate unit for the synthesis of new multinuclear compounds with promising interesting properties and potential precursors of semiconductors. We present for the first time the X‐ray crystallographic structure of [Hg(SeC₆H₄NH₂)₂]₂ · diox ( 1· diox) and its copper(I) derivatives: HgCu₂X₂(SeC₆H₄NH₂)₂(PPh₃)₄ · 4diox [X = Br ( 2· 4diox) and I ( 3· 4diox)]. The compounds 1 and 2 , 3 can be considered as the starting material and intermediates, respectively, for the synthesis of ternary Hg^II/Se/Cu^I nanoclusters. We also provide IR and NMR spectroscopic data and evaluate the optical features of these compounds by difuse reflectance UV/Vis spectroscopy.     

四（对叔丁基）硫杂杯[4]芳烃选择性包合四氟硼酸分子：晶体结构和理论研究

X－射线晶体衍射测定了4－(对叔丁基)硫杂杯[4]芳烃选择性地包合四氟硼酸分子。晶体学数据为：C₄₀H₄₉O₄S₄BF₄，M_r=808.88， 四方锥， 空间群 P4/nmm，a=1.5887(2), b=1.5887(2), c=0.8428(0) nm, V=2.127(2) nm³, Z=2, D_c=1.263 g·cm^-3, R₁=0.0405, _WR[I>2σ(I)]=0.1218. ¹⁹F NMR谱中，在-151.4 ppm处出现的峰，证实了四氟硼酸的存在。用Bader的分子中的原子理论方法计算了分子结构中的非共价键相互作用。结果显示，在四氟硼酸包合物中，除了F…H－C氢键作用和阳离子－阴离子的静电作用外，F^δ--C^δ+静电作用的存在也对4－(对叔丁基)硫杂杯[4]芳烃憎水空腔包合氟硼酸分子起到了稳定作用。