Imides of 2-Trifluoroacetylphenol and other Trifluoracetic acid Esters: Novel Reactions with Phosphorus(III) Derivates

Abstract

The imido derivates of 2-trifluoroacetylphenol, 1 (R¹=H, Me, iPr) react with the isocyanatophosphites (R²O)₂PNCO, 2 (R²[dbnd]Et, R²-R²[dbnd]CMe₂-CMe₂) to yield the bicyclic compounds 3, wheras in case of 1 (R¹[dbnd](CH₂)₂NMe2) the λ³σ³P compounds 4 are found. The phosphorus(III) chlorides R3PC12 (R³[dbnd]Ph, OEt) and 1 (R¹[dbnd]H, Me) give rise to furnish the tricyclic phosphoranes 5. However with 1 (R¹[dbnd]iPr) phosphite 6 is obtained, which adds hexafluoracetone to give the 1,3,2λ⁵σ⁵-dioxaphospholane 7. 2-(Trifluoracetoxy)pyridine 8. reacts with Tris(trimethylsily1)phosphite to yield the bis(phosph0nate) 10. Some molecular structures are discussed on the basis of x-ray diffraction results.     

Synthesis and spectroscopic studies of new organotin(IV) complexes with tridentate N- and O-donor Schiff bases

The Schiff bases H₂L¹ and H₂L² have been prepared by the reaction of 2-amino-4-chlorophenol with pyrrole-2-carbaldehyde and 2-hydroxy-1-naphtaldehyde, respectively, and HL³ from reaction of 2-(aminomethyl)pyridine with 2-hydroxy-1-naphtaldehyde. Organotin complexes [SnPh₂(L¹)] (1), [SnPh₂(L²)] (2), [SnMe₂(L²)] (3) and [SnPhCl₂(L³)] (4) were synthesized from reaction of SnPh₂Cl₂ and SnMe₂Cl₂ with these Schiff bases. The synthesized complexes have been investigated by elemental analysis and FT-IR, ¹H NMR and ¹¹⁹Sn NMR spectroscopy. In complexes the Schiff bases are completely deprotonated and coordinated to tin as tridentate ligands via phenolic oxygen, pyrrolic, and imine nitrogens in 1, two phenolic oxygens and imine nitrogen in 2 and 3, and phenolic oxygen, imine and pyridine nitrogens in 4. The coordination number of tin in 1, 2, and 3 is five and in 4 is six.     

Synthesis,crystal structure,redox behavior and DNA-binding properties of a series of copper(II) complexes with two new carboxamide derivatives

Four mononuclear copper(II) complexes of two new carboxamide derivatives formulated as [Cu(L¹)₂](ClO₄)₂ (1a), [Cu(L¹)₂](NO₃)₂ (1b), [Cu(L²)₂(H₂O)₂](ClO₄)₂ (2a), and [Cu(L²)₂(H₂O)](NO₃)₂ (2b) have been isolated in pure form from the reaction of L¹ and L² [where L¹ = N-(furan-2-ylmethyl)-2-pyridinecarboxamide and L² = N-(thiophen-2-ylmethyl)-2-pyridinecarboxamide] with copper(II) salts of perchlorate and nitrate. All the complexes were characterized by physicochemical and spectroscopic tools along with single-crystal X-ray diffraction studies. The structural analyses showed that 1 is monomeric of square planar geometry with copper(II) chelated by two L¹ ligands. Complex 2 differs in coordination geometry, being octahedral and distorted square pyramidal. Two L² ligands occupy the equatorial positions of the octahedral 2a and the basal sites of the pyramidal 2b, with water molecules that complete the coordination sphere in each case. Electrochemical studies using cyclic voltammetry showed a reversible redox behavior of the copper(II) in 1 and 2. The electronic spectroscopic behavior and the trend of one electron equivalent redox potential corresponding to a Cu^II/Cu^I couple have also been confirmed by density functional theory calculations. The spectroscopic and viscosity measurement study in tris–HCl buffer suggested an intercalative interaction of 1a and 2 with calf thymus DNA likely due to the stacking between the non-coordinated furan and thiophene chromophore with the base pairs of DNA.     

Synthesis and X-Ray Crystal Structure of New Oxathiacrown Ethers Containing Sulfoxide Group and Their Metal-Binding Properties: Highly Selective Receptors for Ag+ and Cu2+

Three new oxathiacrown ethers 1, 2 and 3 containing a sulfoxide group were synthesized in a simple way. Conductometric titration studies in pure acetonitrile were employed to invistigate their binding affinities towards Ag ⁺, Cu ²⁺, Pb ²⁺, Cd ²⁺, Zn ²⁺, Co ²⁺, Ni ²⁺, Cr ³⁺and Hg ²⁺. They were found to be selective for Ag ⁺ and Cu ²⁺ over the other metals investigated. Ligand 1 has the highest selectivity towards Ag ⁺. The structure of compound 3 was confirmed by X-ray crystallography.Supplementary Data relevant to this article have been deposited at the Cambridge Crystallographic Data Centre under the deposition number 232076.     

Zinc(II) and mercury(II) complexes with Schiff bases: syntheses,spectral, and structural characterization

Schiff bases o-vanilidene-1-aminobenzene (HL¹) and o-vanilidene-2-methyl-1-aminobenzene (HL²) lead to the formation of mono- and bis-[(Cl)Zn(L¹)] (1), [(Cl)Zn(L²)] (2), [(Cl)Hg(L¹)] (3), [(Cl)Hg(L²)] (4), [Zn(L¹)₂] (5), [Zn(L²)₂] (6), [Hg(L¹)₂] (7), and [Hg(L²)₂] (8) complexes by reactions of zinc(II) and mercury(II) chlorides in different mole ratio(s). Complexes 1–8 have been characterized by elemental analyses (Zn, Hg, C, H, Cl, and N), melting point and spectral (IR, ¹H-NMR), PXRD, molar conductivity measurement, and TGA. Conductivity measurements suggest non-electrolytes. Structural compositions have been assigned by mass spectral studies. Four-coordinate geometry may be assigned to these complexes tentatively. Structural study reveals that in 1–4 two metal centers are held together by two bridged (μ₂-Cl) chlorides, whereas 5–8 contain two bidentate Schiff-base ligands around one metal-producing monomers.     

Generation and characterization of ionic and neutral [HS-P-OH]<Superscript>+/·</Superscript> and S=P(OH)<Stack><Subscript>2</Subscript><Superscript>+/·</Superscript></Stack> in the Gas Phase by Tandem Mass Spectrometry and Computational Chemistry

Dissociative electron ionization of diethyl dithiophosphate (I) and O,O′-diethyl methylphosphonothioate (II) generates moderately abundant m/z 81 ions of composition [P, O, S, H₂]⁺. From tandem mass spectrometry experiments and theoretical calculations at the B3LYP/6-31G(d,p), G2, and G2 (MP2) levels it is concluded that the majority of the ions have the structure of HS-P-OH⁺ (1a ⁺) and it is separated by high-energy barriers from its isomers P(= S)OH₂⁺ (1b ⁺), P(= O)SH₂⁺ (1c ⁺), HP(= S)OH⁺ (1d ⁺), and HP(= O)SH⁺ (1e ⁺). Low-energy (metastable) ions 1a ⁺ dissociate via losses of H₂O and H₂S to yield m/z 63 (PS⁺) and m/z 47 (PO⁺) product ions, respectively. These reactions involve isomerization of 1a ⁺ into the stable isomers 1b ⁺ and 1c ⁺. Neutralization-reionization experiments confirm the theoretical prediction that radical 1a ^· is a stable species in the gas-phase. Variable-time NR experiments indicated that only a small fraction of metastable 1a ^· radicals dissociate in the 0.4–4.6 μs time window, while most dissociations occurred on a shorter time scale. RRKM calculations were performed to investigate unimolecular dissociation kinetics of 1a ^· which were found to be in agreement with the fragmentation observed in the NR spectrum. The 70-eV electron ionization of (I) and diethyl chlorothiophosphate (III) yields m/z 97 ions, predominantly of the structure S = P(OH)₂⁺ (2a ⁺). This conclusion follows from tandem mass spectrometry experiments and theoretical calculations. The calculations predict that (2a ⁺) is separated by high-energy barriers from its isomers O = P(SH)OH⁺ (2b ⁺), S = P(= O)OH₂⁺ (2c ⁺), and O = P(= O)SH₂⁺ (2d ⁺). Neutralization-reionization experiments confirmed that 2a ^· radical is a kinetically stable species on the time scale of up to 5 μs, which is in agreement with ab initio calculations. However, owing to a mismatch of Franck-Condon factors a large fraction of 2a ^· dissociates by loss of SH^· yielding O=P-OH.     

Synthetic Ionophores. Part 20: Synthesis and Ionophore Character of 2-Aminothiophenol and 1,3-/1,4-Phenylene Based Silver Selective Receptors

Nucleophilic displacements of 1,3- and 1,4-bis(bromomethyl)benzenes with 2-aminothiophenol provide 1,3- and 1,4- bis(2-aminophenylthiomethyl)benzenes 3 and 11 which undergo intermolecular cyclodehydrochlorination with thiodiglycolyl dichloride and isophthaloyl dichloride to give respectively 6, 8 and 12,13. The diamine 3 and its N,N'-dibenzyl derivative 4 with pyridine-2,6-dicarbonyl dichloride give 7 and 5, respectively. The extraction and transport behaviour of these receptors have been determined towards alkali (Li⁺, Na⁺, K⁺),alkaline earth (Mg²⁺, Ca²⁺, Sr²⁺, Ba²⁺), Tl⁺, Ag⁺ and Pb²⁺ picrates.The participation of various ligating sites in binding have been evaluated through ¹³ NMR studies. The acyclic receptors 3, 4 and 11 show higher Ag⁺ selectivity than the cyclic analogs 6 and 12. In the case of acyclic receptor 3 the organisation induced by the 1,3-phenylene spacer and 2-aminophenylthio units and its flexibility generates optimal binding and selectivity towards Ag⁺. However, in cyclicreceptors 3 and 12 though the three thioether unitsare better organised, the inward placement of the NH_amide units restricts the entry of Ag⁺ into the cavity and lowers both the order of binding and selectivity. The lack of binding ability in 7due to an intramolecular NH_amide–-N_py H-bond isrestored in the N-benzyl derivative 5.     

基于香豆素的增强型铜离子荧光探针及其在细胞成像中的应用

以香豆素为荧光团,设计合成了一种反应型铜离子荧光探针Cou-P。Cou-P对Cu~(2+)表现出高选择性、荧光增强性识别。分别用紫外可见光谱、荧光光谱、质谱等方法研究了Cou-P识别Cu~(2+)机理,结果表明Cou-P先形成Cou-P/Cu~(2+)(1∶1)配合物,Cou-P/Cu~(2+)配合物进一步被过量的Cu~(2+)催化水解为3-(carboxylic acid)-7-(diethylamino)-coumarin (Cou-COOH)。另外,Cou-P表现出低细胞毒性、良好的过膜性能,成功地用于MCF-7细胞中Cu~(2+)检测。     

Three new coordination complexes of cobalt(III), manganese(II), and copper(II) with N,N,O-donor hydrazone ligands: syntheses and structural characterizations

Three new coordination complexes, 2{[Co(L¹)₂]ClO₄} · 0.5CH₃OH (1), [Mn(L²)₂] (2), and [Cu(HL²)(L²)]ClO₄ · 2H₂O (3) have been synthesized from two tridentate N,N,O-donor hydrazone ligands HL¹, 2-acetylpyridine-salicyloylhydrazone, and HL², 2-benzoylpyridine-salicyloylhydrazone, respectively and thoroughly characterized by elemental analysis, FT-IR, UV–Vis, electrochemical, and room temperature magnetic susceptibility measurements. Structures of the complexes have been unequivocally established by single crystal X-ray diffraction technique. Structural analysis reveals that 1 consists of two chemically similar but crystallographically independent cationic [Co(L¹)₂]⁺ units and 2 consists of a neutral [Mn(L²)₂] molecule while 3 consists of a cationic [Cu(HL²)(L²)]⁺ unit. Metal ions display distorted octahedral geometry in 1 and 2 while in 3 it shows a distorted square pyramidal geometry. Ligand conformations around the metal ions are stabilized by the presence of intra-ligand hydrogen bonding in all the complexes. Structure of 3 reveals that a perchlorate ion linked to the complex by hydrogen bonding via a water molecule.     

Synthesis,structure, EPR,and DFT calculation on dinuclear paddle wheel Cu(II) complexes with bis-chelate rings

A series of diester-dicarboxylic acids, L¹H₂, L²H₂, L³H₂, L⁴H₂, and L⁵H₂ and their dinuclear Cu₂ complexes [Cu(L¹)CH₃CN]₂ (1), [Cu(L²)H₂O]₂ (2), [Cu(L³)CH₃CN]₂ (3), [Cu(L⁴)EtOH]₂ (4), and [Cu(L⁵)CH₃CN]₂ (5), were synthesized. The crystal structures obtained for 1, 2, and 4 and the density functional theory optimized structures for 2, 3, and 5 illustrated the formation of tetracarboxylate “paddle wheel” complexes. The phthalyl and diphenyl head groups and the spacer moieties were appropriately altered and the size of the chelate ring expanded from 15-membered in 1 to 21-membered in 5. The dinuclear units have strong Cu–Cu interaction with EPR spectra exploring spin coupled features.     

Synthesis and structural characterization of nitrite-coordinating CoII and CoIII complexes as models for the reaction center of Co-substituted nitrite reductase

Co^II and Co^III complexes containing nitrite and tridentate aromatic amine compounds [bis(6-methyl-2-pyridylmethyl)amine (Me₂bpa) and bis(2-pyridylmethyl)amine (bpa)] have been prepared as models of the catalytic center in Co-substituted nitrite reductase: [Co^II(Me₂bpa)(NO₂)Cl]₂ · acetone (2), Co^II(Me₂bpa)(NO₂)₂ (3), Co^II(bpa)(NO₂)Cl (4), Co^II(bpa)(NO₂)₂ (5), Co^III(Me₂bpa)(NO₂)(CO₃) (6), and Co^III(bpa)(NO₂)₃ (7). The X-ray crystal structure analyses of these Co^II and Co^III complexes indicated that the geometries of the cobalt centers are distorted octahedral and the Me₂bpa and bpa with three nitrogen donors exhibit mer- (2, 3, and 7) and fac-form (4 and 6). The coordination mode of nitrite depends on the cobalt oxidation state, to Co^II through the oxygen (nitrito coordination, O- and O,O-coordination) and to Co^III through nitrogen (nitro coordination, N-coordination mode). These findings are consistent with the results of their IR spectra, except that another oxygen of the O-coordinated nitrito group in 3 might interact weakly with Co^II according to its IR spectrum. Reductions of the nitrite in 2, 3, 4, and 5 to nitrogen monoxide were not accelerated in the presence of proton, perhaps due to the nitrito coordination in these Co^II complexes.     

Synthesis of mixed-ligand complexes of VO2+ and VO3+ incorporating hydrazone, 1,10-phenanthroline and 8-hydroxyquinoline

2-Aminobenzoylhydrazide (abh) reacts with equimolar amounts of either [V^IVO(acac)₂] or [V^IVO(bzac)₂] (where acac^? and bzac^? are the monoanionic forms of acetylacetone (Hacac) and benzoylacetone (Hbzac), respectively) in the presence of equimolar amounts of 1,10-phenanthroline (phen) to form the octahedral mixed-ligand complexes [V^IVO(L¹)(phen)] (1) and [V^IVO(L²)(phen)] (2), where (L¹)^2? and (L²)^2? are the dianionic forms of the 2-aminobenzoylhydrazone of acetylacetone (H₂L¹) and benzoylacetone (H₂L²). Upon substituting phen by 8-hydroxyquinoline (Hhq), pentavalent [V^VO(L¹)(hq)] (3) and [V^VO(L²)(hq)] (4) complexes were instead obtained. In the crystal structures of 3 and 4, the hydrazone ligands coordinate to the vanadium center through the enolic-O, one imine-N and amide-O in a mer geometry. The amine and the second imine nitrogen form intramolecular hydrogen bonds. Complexes 1 and 2 display quasi-reversible one-electron oxidation peaks near +0.60 V, while the pentavalent 3 and 4 exhibit quasi-reversible one-electron reduction peaks near ?0.18 V versus Ag/AgCl in CH₂Cl₂ solution. EPR spectroscopic studies on 1 and 2 suggest that the unpaired electron is present in the d_xy orbital. DFT studies for 3 indicate that the d_xy orbital of vanadium is the main contributor to the LUMO.     

1,2-Bis-[(5-methyl/chloro/nitro)-2-1H-benzimidazolyl]-1,2-ethanediols and their PdCl2 complexes

1,2-Bis-[(5-methyl)-2-1H-benzimidazolyl]- (L ¹), 1,2-bis-[(5-chloro)-2-1H-benzimidazolyl]- (L ²), 1,2-bis-[(5-nitro)-2-1H-benzimidazolyl]-1,2-ethanediol (L ³) and their PdCl₂ complexes were synthesized and characterized by elemental analysis, molar conductivity, i.r. and ¹H-n.m.r. spectra. The benzene ring substituents lead to a decrease in melting point. The methyl group reduces the solubility and the acidity of L ¹ and Pd(L ¹)Cl₂, whereas the Cl and NO₂ groups increase the solubility and the acidity of L ², L ³, Pd(L ²)Cl₂ and Pd(L ³)Cl₂. In Pd(L ¹)Cl₂ and Pd(L ²)Cl₂ complexes, the ligands act as a bidentate through two nitrogen atoms. In Pd(L ³)Cl₂, ligand coordination occurs through one OH group oxygen atom and one of the benzimidazole nitrogen atoms.     

Synthesis and physicochemical properties of fac-[Re(CO)3(κ2-N,N-dpkfah)Cl], dpkfah=di-2-pyridyl ketone 2-furoic acid hydrazone: the molecular structure of fac-[Re(CO)3(κ2-N,N-dpkfah)Cl] · acetone

Reaction between [Re(CO)₅Cl] and di-2-pyridyl ketone 2-furoic acid hydrazone (dpkfah) (1) in refluxing toluene gave fac-[Re(CO)₃(κ²-N,N-dpkfah)Cl] (2). Spectroscopic and electrochemical measurements disclosed sensitivity of 2 to its surroundings. ¹H-NMR measurements showed that the amide proton exchanged with solvent protons, and its chemical shift is solvent and temperature dependent, while the chemical shifts of aromatic protons are solvent and temperature independent. Electronic absorption spectra of 2 divulged two intra-ligand charge transfer transitions (ILCT) in protophilic solvents and a single ILCT transition in non-protophilic solvents. Optical measurements on protophilic solutions of 2 established an equilibrium between 2 and its conjugate base, fac-[Re(CO)₃(κ²-N,N-dpkfah-H)Cl]^? (3). Thermo-optical measurements confirmed that the interconversion between 2 and 3 and gave ΔG ^ø values of ?26.48 and 22.99?kJ?mol^?1, respectively, for the protonation of DMF and DMSO by 2. Optosensing measurements showed that [MCl₂] (M?=?Zn, Cd, or Hg) in concentrations as low as 1.00?×?10^?7?mol?L^?1 can be detected and determined using protophilic solutions of 2. Electrochemical measurements showed 2 to be more stable in CH₃CN than DMF. Single-crystal X-ray structural analysis on fac-[Re(CO)₃(κ²-N,N-dpkfah)Cl]?·?acetone (4) obtained from an acetone solution of 2 confirmed the solvent–complex interaction and revealed two symmetry-independent molecules in the asymmetric unit. The extended structure of 4 disclosed parallel stacks connected via a network of classic and non-classic hydrogen bonds.     

Can five-membered Te<Subscript>2</Subscript>N<Subscript>2</Subscript>S rings be considered aromatic?

The structures and molecular properties of three cyclic tellurium species [Te₂N₂S]²⁺ (1 ²⁺ ), [Te₂N₂SCl]⁺ (1 ⁺ ), and Te₂N₂SCl₂ (1) were studied using Density Functional Theory (DFT) with the aim of analyzing and quantifying the degree of electron delocalization in the rings. The structural data for the AsF₆⁻ salt of the cation 1 ⁺ , as well as the experimental vibrational frequencies of 1 and 1 ⁺ , were compared to calculated structures and vibrational modes. While only the five-membered ring of 1 ²⁺ obeys the classic Hückel aromaticity criteria, reflected in the nature of the π orbitals and natural resonance structures, all the three species are magnetic aromatic according to nucleus-independent chemical shift (NICS). However, the out-of-plane component of the NICS tensor (NICS_zz) is able to provide a reliable characterization of the π aromatic character, by showing that successive binding of two chlorine atoms to the same tellurium atom disrupts the π electron delocalization, and that total NICS cannot always be trusted as an aromaticity indicator.     

Synthesis of deuterium-labelled substrates for the study of oleuropein biosynthesis in Olea europaea callus cultures

We propose the cell culture approach to investigate oleuropein (1) biogenesis in Olea europaea L. We suggest employing olive callus cultures to identify the iridoidic precursor of oleuropein. In fact, we confirmed that callus cells from olive shoot explants are able to produce key secoiridoid as 1. To enable this approach, we synthesised and characterised deuterium-labelled iridoidic precursors belonging both to the loganin and the 8-epiloganin series. These iridoids are [7,8-²H₂]-7-deoxy-8-epi-loganin (2^D), [8,10-²H₂]-8-epi-loganin (4^D) and [7,8-²H₂]-7-deoxy-loganin (3^D).     

Synthesis,coordination properties and DFT studies of novel trans-disubstituted hexaaza-macrocycles containing pyridine and/or ethyldioxolane arms

Abstract

Novel trans-disubstituted hexaaza-macrocyclic ligands L¹ and L² were successfully prepared by the alkylation of the trans secondary amines presented in L with pyridine and ethyldioxolane groups, respectively. The coordination properties of compounds L¹ and L² towards different transition, post-transition and lanthanoid metal ions were explored. Colorless crystals of [NaL¹]I and L^2´Br₂, suitable for X-ray diffraction, were obtained by slow evaporation of an acetonitrile solution of compounds L¹ or L², showing an anti conformation between the methyl groups and the pendant arms in trans positions. The [ML¹]ⁿ⁺ (M?=?Ni²⁺, Cu²⁺, Zn²⁺) systems were investigated by DFT calculations (B3LYP model).     

Synthesis and Cation-Binding Properties of (1→6)-2,5-Anhydro-D-glucitol with 3,4-Di-O-Pentyl and Decyl Groups by Cyclopolymerization of 1,2:5,6-Dianhydro-D-mannitols

Abstract

The cyclopolymerizations of 1,2:5,6-dianhydro-3,4-di-O-pentyl-D-mannitol (1b) and 1,2:5,6-dianhydro-3,4-di-O-decyl-D-mannitol (1c) were carried out using BF₃OEt₂ and t-BuOK. All the resulting polymers consisted of cyclic constitutional units, i.e., the extent of cyclization was 100%. The polymer structures for the polymerization with t-BuOK were (1→6)-2,5-anhydro-3,4-di-O-pentyl-D-glucitol (2b) and (1→6)-2,5-anhydro-3,4-di-O-decyl-D-glucitol (2c), whereas those with BF₃O-decyl₂ comprised 2,5-anhydro-D-glucitols as major units along with other cyclic ones. These polymers were soluble in n-hexane, CHCl₃, and THF, but insoluble in water, which differs from the amphiphilic solubility of (1→6)-2,5-anhydro-3,4-di-O-methyl-D-glucitol (2a). The cation-binding properties of 2b and 2c were examined using alkali-metal picrates in order to compare them with those of 2a. The extraction yields for each cation decreased in the order of 2c < 2b < 2a. Every polymer exhibited a similar cation-binding selectivity in the order Cs⁺ > Rb⁺ > K⁺ ? Na⁺ > Li⁺. The ratio of K⁺ and Na⁺, K⁺/Na⁺, was 4.6 for 2a, 5.1 for 2b, and 7.1 for 2c in the increasing order 2a < 2b > 2c.     

2,7-萘二磺酸阴离子导向五元瓜环基超分子自组装体的制备及其荧光检测性能

通过引入2,7-萘二磺酸(2,7-NDA^2-)阴离子作为结构导向剂,与五元瓜环(Q[5])和过渡金属离子(Co²⁺、Ni²⁺、Zn²⁺、Cd²⁺)在水热条件下制备了4种新颖的Q[5]基超分子自组装体(Q[5]-SA),即{[M (H₂O)₄(Q[5])]·(NDA)}·xH₂O (M=Co (1)、Ni (2)、Zn (3))和{[Cd₂Cl₂(H₂O)₄(Q[5])]·(NDA)}·13H₂O (4)。单晶X射线衍射测试结果表明,自组装体1~3同构,其中Q[5]仅一端的部分端口羰基氧原子与金属离子配位形成简单配合物;而4中Q[5]的2个端口均与金属离子Cd²⁺配位形成了一维配位链。在自组装体1~4中,配体2,7-H₂NDA均全脱质子,形成2,7-NDA^2-阴离子平衡体系电荷,但均未能与金属离子配位,而在2,7-NDA^2-阴离子与Q[5]外壁之间的瓜环外壁作用下进一步形成三维超分子结构。此外,还研究了自组装体1和4的荧光传感性能,结果表明它们都能够作为抗生素诺氟沙星(NFX)的比率型荧光探针。