Synthesis and DNA studies of a copper(II) complex of 5,6-dihydro-5,6-epoxy-1,10-phenanthroline

A new copper(II) complex, [Cu(epoxy)(phen)(NO₃)](NO₃)·H₂O (epoxy = 5,6-dihydro-5,6-epoxy-1,10-phenanthroline, phen = 1,10-phenanthroline), has been synthesized and characterized by elemental analysis, IR and UV–vis spectroscopy, and single crystal X-ray diffraction. The complex crystallized in a monoclinic system with space group P21/n, a = 13.3199(8) Å, b = 11.2917(7) Å, c = 16.0832(9) Å, α = 90°, β = 107.827(4)°, and γ = 90°. The complex cation possesses a distorted octahedral geometry, with Jahn–Teller distortion occurring in the CuN₄O₂ core. The binding interaction with calf thymus DNA (CT–DNA) was investigated by UV–vis and fluorescence spectroscopy, cyclic voltammetry, and viscometry. The results support a partially intercalative binding mode. Efficient cleavage of plasmid DNA by the complex was observed by gel electrophoresis.     

Synthesis of Some Octahedral Nickel(II) Complexes of One Isomer of Isomeric Me8[14]anes: X-ray Structure of Diisothiocyanato(3,10-C-meso-3,5,7,7,10,12,14,14-octamethyl-1,4,8,11-tetraazacyclotetradecane, LC)nickel(II), [NiLC(NCS)2]

One isomer, L_C of the isomeric Me₈[14]anes, L_A, L_B and L_C; on reaction with Ni(NCS)₂ produces a six coordinate octahedral diisothiocyanato complex, [NiL_C(NCS)₂]. This complex undergoes axial substitution reactions with the small ligands to yield corresponding monosubstituted derivatives having general formula [NiL_C(NCS)X] whereas X = Cl, Br, I, NO₂ or NO₃. The complexes have been characterized on the basis of analytical, spectroscopic, magnetic and conductance data. The structure of [NiL_C(NCS)₂] (triclinic, space group P?1, α = 8.0421(17) Å, β = 8.9085(18) Å, χ = 9.687(2) Å, α = 67.561(3) Å, β = 82,896(4) Å, ζ = 598.7(2) Å³, Z = 2, Dc = 1.352 mg/m³, μ(Mo Kα) = 1.003 mm^?1) was confirmed by X-ray crystallography.     

Investigation into the crystal structure of bis(pyridine)-bis(trichloroacetato) copper(II) and its electrophotochemical properties

A novel chained Cu(II) complex was synthesized from trichloroacetato copper(II) and pyridine in ethanol solvent, and characterized by elemental analysis and infrared (IR) spectroscopy. The special crystal structure of the Cu(II) complex was determined by X-ray single-crystal diffraction. The results indicate that a chained structure of the Cu(II) complex formed through intermolecular hydrogen bonds. Cu(CCl₃COO)₂(C₅H₅N)₂(H₂O) was monoclinic, with unit cell P21/c and cell parameters as follows: a = 14.389(3) Å, b = 7.1911(14) Å, c = 23.107(8) Å, V = 2,257.5(10) Å³, Z = 4, M _r = 564.51, D _c = 1.661 mg/m³, T = 293(2) K, F(000) = 1,124, μ(Mo K_α) = 1.704 mm^?1, R = 0.0984, and ωR = 0.2791. The electrochemical behavior of the Cu(II) complex on a glassy carbon working electrode determined by cyclic voltammetry showed the electrochemical activity of the title compound at 0.2 to ?0.3 V (versus SCE) in NH₃–NH₄Cl buffer solution (pH 9.2), and the redox peak current of the complex had a good linear relationship with the square root of the scan rate in the range 0.02–0.2 V/s.     

Synthesis, cytotoxicity and spectroscopy studies of a new copper (II) complex: calf thymus DNA and T47D as targets

A water-soluble Cu (II) complex [(dien)Cu(??-1,6-DAH)Cu(dien) (NO₃)₂](NO₃)₂ has been synthesized and its effect on the carrier model DNA structure and cancer cell line proliferation was investigated. In this regard, calf thymus DNA (CT-DNA) and human breast cancer cell line, T47D, were the targets. The effect of the complex on DNA structure was investigated by means of UV/vis, fluorescence and circular dichroism (CD) spectroscopic techniques as well as dynamic light scattering (DLS), zeta potential analysis and docking assay for more analysis. The UV?Cvis absorption spectra of complex with DNA showed a slight red shift and hypochromic effect, which indicated the intercalation and electrostatic effect of complex with CT-DNA. Using ethidium bromide (EB) as a probe in fluorescence studies revealed that complex can quench the EB?CDNA fluorescence emission at different temperatures. Besides, the far UV?CCD studies displayed that the complex induces changes in the secondary structure of CT-DNA and can increase the melting temperature of DNA up to 14?°C. The DLS and zeta potential measurements confirmed the electrostatic interaction of complex with the negatively charged DNA and subsequent DNA condensation. Besides, computational studies reflect that major and minor groove binding are two modes of interaction between complex and DNA. On the other hand, growth inhibition of the complex toward T47D cell line was measured using 3-(4,5-dimethylthiazol-2-yl)-2,5-diphenyltetrazolium bromide assay, which showed no cytotoxic properties.     

Synthesis,crystal structure,and DNA-binding studies of a one-dimensional copper(II) polymer bridged both by oxamidate and thiocyanato ligands

A new one-dimensional copper(II) polymer, [Cu₄(dmapox)₂(SCN)₄(CH₃OH)₂] _n , where dmapox is the dianion of N,N′-bis[3-(dimethylamino)propyl]oxamide, was synthesized and characterized by elemental analysis, conductivity measurement, IR, and electronic spectral studies. The crystal structure of the copper(II) complex has been determined by X-ray single-crystal diffraction. The complex crystallizes in triclinic, space group P ? 1 and exhibits infinite one-dimensional copper(II) polymeric chain bridged both by bis-tridentate μ-trans-dmapox and μ-1,3-thiocyanato ligand. The environment around the copper(II) atom can be described as distorted square-pyramid. The Cu···Cu separations through the oxamidate and thiocyanato bridges are 5.246(2) Å (Cu1–Cu1ⁱ), 5.2649(14) Å (Cu2–Cu2ⁱⁱ), and 5.8169(15) Å (Cu1–Cu2), respectively. The interaction of the copper(II) complex with herring sperm DNA (HS-DNA) has been investigated by using absorption and emission spectral and electrochemical techniques and viscometry. The results reveal that the copper(II) complex may interact with DNA in the mode of groove binding with the intrinsic binding constant of 2.56 × 10⁵ M^?1.     

Cadmium(II) complex with 2-methyl-1H-4,5-imidazoledicarboxylic acid ligand: synthesis,characterization, and biological activity

A coordination polymer, [Cd(L)₂(H₂O)₂]_n (HL = 2-methyl-1H-4,5-imidazoledicarboxylic acid), was prepared from reactions of Cd(NO₃)₂ with L at room temperature. It was characterized by IR spectra and elemental analysis. The complex was structurally characterized by X-ray single-crystal diffraction revealing that the complex crystallizes in monoclinic with P2(1)/c space group, a = 12.203(10)?Å, b = 9.332(8)?Å, c = 7.554(7)?Å, β = 100.894(2)?Å, V = 844.7(13)?ų, Z = 2. Fluorescence and UV absorption spectroscopy indicated that the complex can bind to fish sperm DNA. Gel electrophoresis assay demonstrated the ability to cleave the HL-60 plasmid DNA. Apoptotic study showed that the complex exhibited significant cancer cell (JEKO and KB) inhibitory rate.     

Copper(II)–malonato coordination frameworks with ethanolammonium cations. Synthesis,spectral, thermal and structural characterization of trans-[Cu(mal)2(meaH)2] and {(deaH)2[Cu(μ-mal)2]·H2O}∞ (meaH=monoethanolammonium,deaH=diethanolammonium and mal=malonate)

Two isomorphous malonato–copper(II) complexes, [Cu(mal)₂(meaH)₂] and {(deaH)₂[Cu(μ-mal)₂]·H₂O}_∞ (meaH=monoethanolammonium, deaH=diethanolammonium and mal=malonate), have been prepared and characterized by elemental analyses, IR, UV–vis, magnetic measurements and single crystal X-ray diffraction. The mononuclear complex crystallizes in the monoclinic space group P2₁/n, with a=8.6630(8) Å, b=7.5122(5) Å, c=11.4390(10) Å, β=95.530(7) and Z=2. The polymeric malonato-bridged copper(II) complex crystallizes in the monoclinic space group P2₁/c, with a=26.5169(14) Å, b=8.2544(5) Å, c=9.5243(5) Å, β=96.256(4) and Z=4. The monomeric complex consists of individual units in which copper(II) sits on the inversion center and is octahedrally coordinated by two bidentate mal and two monodendate meaH ligands. The structural units are joined into the framework by the system of hydrogen bonds. The polymeric complex composed of two-dimensional chains containing the mal bridged [Cu(mal)₂]²⁻ ions and each mal ligand simultaneously exhibits chelating bidentate (at one copper atom) and bridging (at the adjacent copper atom) coordination modes. The intrachain Cu1⋯Cu2 separation is 6.302(4) Å. The deaH cations are not coordinated to copper(II) and occupy the voids of the frame work, together with the lattice water molecules. The IR spectra and thermal decompositions of both complexes are described in detail.     

Synthesis and Structure of a New Cu(II) Complex with 2-Benzoylpyridine and Its Hydrolyzed Derivative H<Subscript>2</Subscript>bpd as Ligands

A new Cu(II) complex, [Cu₂(bzpy)₂(Hbpd)₂(H₂O)](ClO₄)₂·H₂O (1) based on bzpy (bzpy = 2-benzoylpyridine) and H₂bpd (benzyl-2-pyridylmethanediol) mixing ligands, was synthesized and characterized by IR, UV–Vis spectra, TGA and single-crystal X-ray diffraction. It crystallizes in monoclinic, space group P2(1)/n with a = 18.7790(2), b = 14.4609(3), c = 18.9434(4) Å, β = 102.17°, V = 5028.63(16) ų, Z = 4. The complex bears a dinuclear structure in which two Cu(II) atoms adopt elongated square pyramidal (SP) and octahedral geometry, respectively, and two intramolecular π…π interactions are also observed. Then with the help of intermolecular π…π and CH…π interactions, a 1D chain structure is formed based on the dinuclear unit. Thermal stability of 1 was studied.     

Synthesis of diferrocenylmethoxyethanol via reaction of diferrocenylmethyl cabonium with glycol and its crystal structure

The new compound diferrocenylmethoxyethanol has been synthesized from the reaction of glycol in the presence of triethylamine with diferrocenylmethyl carbonium which was generated by diferrocenylmethanol treated with BF₃ in CH₂Cl₂ without separation from the reaction mixture. Diferrocenylmethoxyethanol was characterized by elemental analysis, ¹H NMR and IR. The structure was also confirmed by a X-ray single crystal study. It was found that diferrocenylmethoxylethanol crystallized in a monoclinic P2₁ space group and a=5.8250(8) Å, b=7.4034(10) Å, c=21.773(3) Å, α=90°, β=95.020(3)°, γ=90°, V=935.4(2) Å³, Z=2, D _c=1.577 mg·m^?3, μ=1.566 mm^?1, F(0 0 0)=460.     

Crystal structure and thermal decomposition mechanism of a 5-aminotetrazole copper(II) complex

A novel 5-aminotetrazole mixed ligands complex of formula [Cu(PTS)₂(ATZ)₂(H₂O)₂] (C₁₆H₂₄CuN₁₀O₈S₂, PTS = p-toluenesulfonate, ATZ = 5-aminotetrazole) has been obtained by the reaction of 5-aminotetrazole with copper acetate and p-toluenesulfonic acid on heating in water. It was characterized by elemental analysis, FT-IR spectroscopy, and X-ray single crystal diffraction. The compound crystallizes in monoclinic system, space group P2₁/c, Z = 2, a = 14.079(4) Å, b = 6.088(3) Å, c = 14.632(4) Å, β = 105.268(4)°, V = 1209.8(5) Å³. The central copper(II) cation is coordinated by two N atoms and four O atoms from two ATZ ligands, two water molecules and two p-toluenesulfonate ions to form a six-coordinated and distorted octahedral structure. Neutral ATZ is coordinated in the monodentate mode by the N(4) atom. The sulfonate group of the PTS ligand remains weak-coordinated modes and forms a number of hydrogen bonds with water molecule ligands and ATZ ligands. A supramolecular framework is connected by electrostatic interaction, weak coordinated bonding, hydrogen-bonding, and π–π interaction. The thermal decomposition mechanism of the title compound was predicted based on DSC, TG-DTG, and FT-IR analyses. Thermolysis of ATZ and its several derivatives is compared.     

Molecular and crystal structure of 15-acetylsongorine and songoramine isolated from <Emphasis Type="Italic">Aconitum szechenyianum</Emphasis> Gay

Two napelline skeletal diterpenoid alkaloids 15-acetylsongorine, C₂₄H₃₃NO₄ I, and songoramine, C₂₂H₂₉NO₃ II, were first isolated from the roots of Aconitum Szechenyianum Gay. The crystal structures were determined by X-ray single-crystal diffraction analysis. The crystal I is the triclinic system with space group P1 having unit cell parameters of a = 9.360(8) Å, b = 11.593(9) Å, c = 11.830(16) Å, α = 113.223(15)°, β = 105.950(16)°, γ = 101.296(12)°, and Z = 2. Hydrogen bonds O–H···O and O–H···N joint the molecules into dimer. The crystal II belongs to the orthorhombic system with space group P2₁2₁2₁ having unit cell parameters of a = 8.950(2) Å, b = 13.272(3) Å, c = 15.454(4) Å and Z = 4. The O–H···O hydrogen bonding interaction links the molecule into linear chains. The distortion of rings of compound I and II were evaluated by calculation of the Cremer and Pople puckering parameters. The presence of the C–O–C bond in the compound II results in the changes of ring conformations compared with that of the compound I.     

A one-dimensional chain of polyoxometalate polymer bridged by dinuclear copper coordination units with 4-(5-phenylpyridin-2-yl)pyridine

A new Keggin polyoxometalate-based polymer, formulated as (Hppy)₂Cu₂(ppy)₄[SiMo₁₂O₄₀] (1) ppy = 4-(5-phenylpyridin-2-yl)pyridine, had been synthesized under hydrothermal conditions. Complex 1 exhibits a one-dimensional polyoxometalate-based chain constructed from Keggin anions of [SiMo₁₂O₄₀]^4? weakly connected by dinuclear [Cu(ppy)₂] groups. This complex crystallizes in the triclinic space group P-1, a = 12.621(3) Å, b = 13.168(3) Å, c = 17.467(4) Å, α = 86.09(3)°, β = 85.35(3)°, γ = 64.10(3)°, V = 2601.1(9) Å³, Z = 1. The elemental analyses, FT-IR, TG-DTA for this compound were also determined.     

A New Organic-Paradodecatungstate Hybrid Compound: Synthesis, Characterization and Crystal Structure

An organic–inorganic hybrid compound Na₂(HAn)₈[H₂W₁₂O₄₂]·16H₂O (HAn: p-anisidinium, C₇H₁₀NO) has been synthesized under soft acidic conditions and characterized by infrared and UV–visible spectroscopies, thermogravimetric analysis, cyclic voltammetry and single crystal X-ray diffraction. The compound crystallizes in the monoclinic P2₁/n space group with a = 10.1920(4) Å, b = 34.2901(9) Å, c = 14.0745(5) Å, β = 95.830(3)°, V = 4,893.4(3) Å³ and Z = 4. The compound exhibits a 2D supramolecular structure formed by alternated [paradodecatungstate/Na] and p-anisidinium layers. The catalytic activity of the compound for oxidation of cyclooctene with H₂O₂ was proved and gives rise to good reaction yield.     

Solvothermal synthesis and structural characterization of a novel erbium(III)-carboxylate polymeric complex

A novel erbium(III)-carboxylate polymeric complex [{Er(H₂btec)_2/4(btec)_3/6(H₂O)}·2H₂O] _n , simplified as ECPC, (H₄btec=1,2,4,5-benzenetetracarboxylic acid) was synthesized under solvothermal conditions (H₂O/acetic acid). ECPC obtained was characterized by differential thermal analysis/thermogravimetry (DTA/TG), single-crystal X-ray diffraction, elemental analysis and FT-IR analysis techniques. The result of single-crystal X-ray diffraction analysis shows that the ECPC crystallizes in monoclinic symmetry, and the space group P2(1)/n, a=10.6933(15) Å, b=7.1243(10) Å, c=17.092(2) Å, α=γ=90°, β=97.109(2)°, V=1292.1(3) Å³, Z=4, R ₁=0.0286, wR ₂=0.0686. ECPC demonstrates a 3-D supramolecular framework containing nine-coordinate erbium centers and channels. The uncoordinated water molecules occupy the channels in ECPC. The results of TG/DTA, IR and elemental analysis performed also give positive information of the proposed crystal structure.     

Syntheses and Crystal Structures of Two New Pentaborates Templated by Transition-Metal Complexes

Two new pentaborates [M(dap)₃][B₅O₆(OH)₄]₂·H₂O (M = Co (1) and Ni (2); dap = 1,2-diaminopropane) have been hydrothermally synthesized. Both structures were determined by single crystal X-ray diffraction and further characterized by elemental analysis, FT-IR, thermogravimetric analysis and photoluminescence spectroscopy. Two compounds are isostructural and consist of isolated pentaborate [B₅O₆(OH)₄]^? anions and [M(dap)₃]²⁺ complex cations. The anionic [B₅O₆(OH)₄]^? groups are linked by extensive hydrogen bonds to form a 3-D supramolecular framework with large channels, in which the transition-metal complex templates are located. The luminescent properties of 1 and 2 were studied, and blue luminescence occurs with an emission maximum at 405 and 408 nm upon excitation at 332 and 328 nm respectively. Crystal data: 1, monoclinic, space group P2₁/c (No. 14), a = 9.7159(5) Å, b = 29.3372(19) Å, c = 11.5121(6) Å, β = 103.286(5)°, V = 3193.6(3) ų, Z = 4; 2, monoclinic, space group P2₁/c, a = 9.7264(4) Å, b = 29.3810(16) Å, c = 11.5185(6) Å, β = 103.249(4)°, V = 3204.0(3) ų, Z = 4.     

A 1-D alternating copper(II) chain based on three acetate-bridging modes: synthesis,crystal structure,DNA binding and magnetic properties

A new 1-D alternating copper(II) polymer, [Cu₂(L)(OAc)₄]_n (1) (L = 5-chloro-2-(pyridine-2-yl)benzo[d]thiazole), has been isolated and characterized by single-crystal X-ray diffraction, elemental analysis, IR spectroscopy, and magnetic susceptibility. The complex crystallized in the triclinic space group P-1, a = 8.2277(16) Å, b = 9.4233(19) Å, c = 15.831(3) Å, α = 103.38(3)°, β = 99.95(3)°, γ = 92.70(3)°, V = 1171.3(4) Å³, and comprises a 1-D polymer linked by three kinds of acetate-bridging modes in an alternating manner. UV–visible and fluorescence spectra revealed that 1 is bound to CT-DNA in a partial intercalation mode. Through gel electrophoresis assays, 1 displayed an efficient oxidative cleavage activity on supercoiled plasmid DNA (pUC19) in the presence of H₂O₂. Magnetic measurements were performed from 2 to 300 K, and the experimental results were satisfactorily reproduced with J₁ = –160 ± 20 cm^?1, J₂ = 5.8 ± 0.2 cm^?1, zJ′ = 0.381 ± 0.005 cm^?1 and g = 2.1, showing antiferromagnetic coupling between Cu1 and Cu1i, ferromagnetic exchange between Cu2 and Cu2ii, and a weak ferromagnetic molecular field correction accounting for all interspecies interactions.     

Synthesis,characterization, crystal and molecular structure analysis of a novel 1-benzhydryl piperazine derivative: 1-benzhydryl-4-(2-nitro-benzenesulfonyl)-piperazine

A novel 1-benzhydryl piperazine derivative 1-benzhydryl-4-(2-nitro-benzenesulfonyl)-piperazine was synthesized by the nucleophilic substitution of 1-benzhydryl piperazine with 2-nitro-benzenesulfonyl chloride. The product obtained was characterized spectroscopically and finally confirmed by X-ray diffraction study. The title compound, C₂₃H₂₃N₃O₄S crystallizes in the monoclinic space group C2/c with cell parameters a = 13.1120(9) Å, b = 21.4990(9) Å, c = 16.655(1) Å, β = 111.352(2)°, Z = 8, and V = 4372.7(4) Å. The structure reveals that the piperazine ring is in a chair conformation. The geometry around the S atom is distorted tetrahedral. There is a large discrepancy in the bond angles around the piperazine N atoms. The structure is stablized by C–H···O type intermolecular hydrogen bonding interactions.     

Synthesis,Crystal Structure,and Enhancement of the Efficacy of Metronidazole Against Entamoeba histolytica by Complexation with Palladium(II), Platinum(II), or Copper(II)

Reaction of trans‐[PdCl₂(DMSO)₂], cis‐[PtCl₂(DMSO)₂], and [Cu(OAc)₂]⋅H₂O with metronidazole (mnz) leads to the formation of new complexes, i.e., trans‐[PdCl₂(mnz)₂] ( 1 ), trans‐[PtCl₂(mnz)₂] ( 2 ), and trans‐[Cu₂(OAc)₄(mnz)₂] ( 3 ), respectively. Complexes 1 – 3 crystallize all in the centrosymmetric monoclinic space group P2₁/c with Z=8. Unit‐cell parameters for these complexes are: 1 , a=7.1328(14) Å, b=20.699(4) Å, c=7.1455(14) Å, and β=116.17(3)°; 2 , a=6.9169(14) Å, b=21.853(4) Å, c=6.7218(13) Å, and β=110.79(3)°; 3 , a=9.1663(18) Å, b=19.129(4) Å, c=8.9446(18) Å, and β=116.44(3)°. The complexes 1 and 2 maintain an ideal square‐planar geometry. In complex 3 , the H₂O molecules of the starting complex are replaced by metronidazole while maintaining a dimeric structure of [Cu(OAc)₂]. Each Cu ion has an ideal octahedral structure, though distortion occurs in the equatorial position where the acetato ligands are attached. The Cu Cu separation of 2.6343(8) Å indicates considerable metal‐metal interaction. The testing of the antiamoebic activity of these complexes against the protozoan parasite Entamoeba histolytica suggests that compound 1 – 3 might be endowed with important antiamoebic properties since they showed IC₅₀ values in a μM range better than metronidazole (Table 2). Thus, compound 1 displayed more effective amoebicidal activity than metronidazole (IC₅₀ values of 0.103 μM vs. 1.50 μM , resp.).     

Crystal structure, magnetic property and thermal analysis of a novel manganese complex with phenyldicarboxylate and benzidine ligands

A new complex [Mn₂(C₁₂H₁₂N₂)₃(C₁₄H₈O₄)₂ (C₂H₅OH)₂] _n (where C₁₄H₈O₄ is 2,2′-bi-phenyldicarboxy- late, bpda; C₁₂H₁₂N₂ is benzidine), has been solvothermally synthesized at 443 K and characterized by the elemental analyses, IR, and the single crystal X-ray diffraction analysis. The title complex crystallizes in the triclinic system, space group P-1, with a=9.472 (4) Å, b=12.638(5) Å, c=13.434(5) Å, and Z=1. The compound consists of one-dimensional S-shaped subchains which interlinked by μ₃-2,2′-bpda into a 2-D sheet. The lattice alcohol molecules are located between the layers of the sheet. The magnetic susceptibility has been measured and indicates possible antiferromagnetic coupling between adjacent Mn(II). Based on the TGA curve, the thermal decomposition mechanism of the compound has also been discussed.     

Synthesis,crystal structure,and thermodynamics of a high-nitrogen copper complex with <Emphasis Type="Italic">N</Emphasis>, <Emphasis Type="Italic">N</Emphasis>-bis-(1(2)H-tetrazol-5-yl) amine

A new high-nitrogen complex [Cu(Hbta)₂]·4H₂O (H₂bta = N,N-bis-(1(2)H-tetrazol-5-yl) amine) was synthesized and characterized by elemental analysis, single crystal X-ray diffraction and thermogravimetric analyses. X-ray structural analyses revealed that the crystal was monoclinic, space group P2(1)/c with lattice parameters a = 14.695(3) Å, b = 6.975(2) Å, c = 18.807(3) Å, β = 126.603(1)°, Z = 4, D _c = 1.888 g cm^?3, and F(000) = 892. The complex exhibits a 3D supermolecular structure which is built up from 1D zigzag chains. The enthalpy change of the reaction of formation for the complex was determined by an RD496–III microcalorimeter at 25 °C with the value of ?47.905 ± 0.021 kJ mol^?1. In addition, the thermodynamics of the reaction of formation of the complex was investigated and the fundamental parameters k, E, n, \( \Updelta S_{ \ne }^{{{\uptheta}}} \), \( \Updelta H_{ \ne }^{{{\uptheta}}} \), and \( \Updelta G_{ \ne }^{{{\uptheta}}} \) were obtained. The effects of the complex on the thermal decomposition behaviors of the main component of solid propellant (HMX and RDX) indicated that the complex possessed good performance for HMX and RDX.