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1.
N. Kanagathara M. K. Marchewka N. Sivakumar K. Gayathri N. G. Renganathan S. Gunasekaran G. Anbalagan 《Journal of Thermal Analysis and Calorimetry》2013,112(3):1317-1323
Single crystals of melaminium perchlorate monohydrate (MPM) have been grown from aqueous solution by slow solvent evaporation method at room temperature. X-ray powder diffraction analysis confirms the title crystal crystallizes in the triclinic (P-1) structure and the calculated lattice parameters are a = 5.6275 ± 0.0780 Å, b = 7.6926 ± 0.1025 Å, c = 12.0878 ± 0.2756 Å, α = 103.89 ± 1.01°, β = 94.61 ± 0.92°, γ = 110.22 ± 0.81°, and V = 468.95 Å3. The thermal decomposition behavior of MPM has been studied by means of thermogravimetric analysis at three different heating rates 5, 10, and 20 °C min?1. The values of effective activation energy (E a), pre-exponential factor (ln A) of each stage of thermal decomposition for all heating rates were calculated by model free method: Kissinger, Kim–Park, and Flynn–Wall method. A significant variation of effective activation energy (E a) with conversion (α) indicates that the process is kinetically complex. The linear relationship between the A and E a values was established (compensation effect). Dielectric study has also been carried out and it is found that both dielectric constant (ε′) and dielectric loss (ε″) decreases with increase in frequency. 相似文献
2.
N. Sivakumar N. Kanagathara K. Gayathri P. Krishnan G. Anbalagan 《Journal of Thermal Analysis and Calorimetry》2014,115(2):1295-1301
New semi-organic bis(thiourea)silver(I)nitrate (TuAgN) single crystals have been grown from slow evaporation solution growth technique. Single crystal X-ray diffraction study reveals that the crystal belongs to orthorhombic system with the non-centrosymmetric space group C2221 and the calculated cell parameters are a = 33.3455 (6) Å, b = 45.2957 (7) Å, c = 20.3209 (5) Å, α = β = γ = 90°, and V = 30692.8 (10) Å 3. The thermal stability and decomposition behavior of TuAgN compound have been studied by thermogravimetric analysis at three different heating rates 5, 10, and 15 °C min?1. The effective activation energy (E a) and pre-exponential factor (ln A) of thermal decomposition of thiourea from TuAgN compound at three different heating rates are estimated by model free methods: Arrhenius, Flynn–Wall, Kissinger, and Kim–Park. The calculated effective activation energies were found to vary with the fraction (α) reacted. The compensation effect between the (ln A) and (E a) has also been studied. Dielectric properties of TuAgN crystal have been studied in a wide range of frequencies and temperatures. AC conductivity has also been carried out. 相似文献
3.
E. J. C. Davim A. M. R. Senos M. H. V. Fernandes 《Journal of Thermal Analysis and Calorimetry》2014,117(2):643-651
In this work, the crystallization process of a SiO2–3CaO·P2O5–MgO glass was studied by non-isothermal measurements using differential thermal analysis carried out at various heating rates. X-ray diffraction at room and high temperature was used to identify and follow the evolution of crystalline phases with temperature. The activation energy associated with glass transition, (E g), the activation energy for the crystallization of the primary crystalline phase (E c), and the Avrami exponent (n) were determined under non-isothermal conditions using different equations, namely from Kissinger, Matusita & Sakka, and Osawa. A complex crystallization process was observed with associated activation energies reflecting the change of behavior during in situ crystal precipitation. It was found that the crystallization process was affected by the fraction of crystallization, (x), giving rise to decreasing activation energy values, E c(x), with the increase of x. Values ranging from about 580 kJ mol?1 for the lower crystallized volume fraction to about 480 kJ mol?1 for volume fractions higher than 80 % were found. The Avrami exponents, calculated for the crystallization process at a constant heating rate of 10 °C min?1, increased with the crystallized fraction, from 1.6 to 2, indicating that the number of nucleant sites is temperature dependent and that crystals grow as near needle-like structures. 相似文献
4.
Jana Holubová Zdeněk Černošek Eva Černošková 《Journal of Thermal Analysis and Calorimetry》2013,114(3):997-1002
Isothermal crystallization of an As2Se3 undercooled melt was studied by differential scanning calorimetry and described using the classical theory of nucleation and crystal growth. The maximum rate of nucleation and crystal growth was observed to occur at approximately 235 and 350 °C, respectively. The activation energies of nucleation and crystal growth were determined to be ΔE D = 311 kJ mol?1 and ΔE* = 104 kJ mol?1, respectively. The temperature dependencies of both the activation free energy of nucleation, ΔG*, and the critical diameter, r*, were also calculated. 相似文献
5.
Josiane de Lima Souza Marcelo Kobelnik Clóvis Augusto Ribeiro Jorge Manoel Vieira Capela Marisa Spirandeli Crespi 《Journal of Thermal Analysis and Calorimetry》2009,97(2):525-528
Poly(3-hydroxybutyrate), PHB, has been structurally modified through reaction with hydroxy acids (HA) such as tartaric acid
(TA) and malic acid (MA). The crystallization kinetic of the samples was evaluated by isoconversional method through nonlinear
fitting to obtain the estimation for activation energy (E
a
) and pre-exponential (A) values. The thermal behavior of the crystallization temperature, 44.8 and 58.9 °C at 5 °C/min, and results obtained to the
average activation energy, 73 ± 9 kJ mol−1 and 63 ± 1 kJ mol−1, to PHB/MA and PHB, respectively, are suggesting that malic acid may be deriving plasticizer units from its own PHB chain.
PHB/TA show increase in the medium value of E
a, 119 ± 2 kJ mol−1 and T
c = 48.2 °C (at 5 °C/min), indicating that tartaric acid is probably interacts in different way to the of PHB chain (E
a=73 ± 9 kJ mol−1, T
c = 44.8 °C at 5 °C/min). 相似文献
6.
Qiao Deng Yongdong Jin Qinggui Wang Rongxin Zhao Ning Pan Fuwan Zhai Meiming Luo Chuanqin Xia 《Journal of Radioanalytical and Nuclear Chemistry》2013,295(1):125-133
A new N-containing ligand, 1,4,7,10-tetra-(4-nitrobenzyl)-1,4,7,10-tetraazacyclo-dodecane (L), was synthesized, and its structure was determined by 1H NMR, high resolution mass spectrometry and X-ray diffraction. L crystallized in the monoclinic system (P21/n space group; a = 7.7895(2) Å, b = 22.9592(5) Å, c = 9.9204(2) Å; α = 90.00°, β = 105.481(3)°, γ = 90.00°; Z = 2). Slope analysis and the continuous variation method demonstrated that 1:2 complexes between Th(IV) and L are formed; furthermore, the XPS analysis suggested that two oxygen atoms might be provided by two water molecules and that eight nitrogen atoms might be provided by two L molecules to form a ten-coordinate compound with Th(IV). The extraction equilibrium constant for the complex formation between Th(IV) and L was logK ex = 6.95 ± 0.15 (25 °C), and the Gibbs free energy, ΔG o (25 °C), of the 1:2 Th–L complex in dichloromethane was ?39.56 kJ/mol. The L ligand in dichloromethane only slightly extracted Th(IV) from HNO3 solution at pH = 1–3; however, an extraction efficiency of E = 94.9 ± 0.3 % was observed at pH = 4.63. The selectivity of L for the Th(IV) cation over other cations (i.e., Cs(I), Sr(II), Y(III), La(III), Sm(III), Eu(III), U(VI), and 241Am(III)) was evaluated. Furthermore, the stripping experiments showed that the stripping agent (0.5 mol/L Na2CO3 + 0.1 mol/L EDTA) could provide an optimal condition for stripping thorium, and thorium recovery was up to 91.6 ± 0.1 %. 相似文献
7.
He Lin Shun-Guan Zhu Lin Zhang Xin-Hua Peng Peng-Yuan Chen Hong-Zhen Li 《Structural chemistry》2013,24(5):1655-1663
A novel polynitro cage compound 10-(5-nitrimino-1,2,3,4-tetrazol-1-yl)methyl-2,4,6,8,12-pentanitro-hexaazaisowurtzitane, composed of CL-20 and tetrazole framework, has been designed. DFT-B3LYP/6-31G(d) and molecular mechanics methods are employed to calculate its IR spectrum, heat of formation, thermodynamic properties, and crystal structure. Besides, the stability of this compound is evaluated using the bond dissociation energy. The result shows that the initial step of thermal decomposition is the rupture of N–NO2 bond in the side chain. This compound is most likely to crystallize in the P-1 space group, and corresponding cell parameters are Z = 2, a = 7.65 Å, b = 14.30 Å, c = 10.36 Å, α = 91.53°, β = 50.83°, γ = 89.44°, and ρ = 2.025 g cm?3. Detonation velocity and detonation pressure of this compound are estimated to be 9.090 km s?1 and 38.078 GPa using the Kamlet–Jacobs equation, similar to those of CL-20. Considering detonation performance and thermal stability, this compound meets the requirements of exploitable high energy density materials. 相似文献
8.
Chuan Huang Xinliang Mei Yi Cheng Yanchun Li Xuqiang Zhu 《Journal of Thermal Analysis and Calorimetry》2014,116(3):1153-1157
Kissinger equation is widely used to calculate the activation energy. However, since a number of assumptions and approximations are introduced in the derivation, the activation energy resolved by this method will have some errors. Here, we propose a model-free evaluation method to estimate the relative error of activation energy of Kissinger equation. Our work shows that the error in activation energy solved by Kissinger equation is not only related to the magnitude of x = E/RT, but also depended on the change of β and ?x = x 1 ? x 2. From the experimental and theoretical analysis on the degradation of polyamide-6, it can be found that the actual error and the theoretical error in the activation energy solved by Kissinger equation are almost same. 相似文献
9.
Ji?�� M��lek Zuzana Zmrhalov�� Pavla Honcov�� 《Journal of Thermal Analysis and Calorimetry》2011,105(2):565-570
Thermomechanical analysis (TMA) can be used as a sensitive tool to follow crystallization behavior in non-crystalline materials. Newly developed method is based on slowing down of sample deformation caused by viscous flow above the glass transition due to macroscopic crystal growth. It is shown that a typical TMA sigmoidal curve reasonably well corresponds to direct measurement of crystal growth kinetics by means of optical microscopy. The method has been used to study crystallization kinetics in Ge38S62 glass. The TMA measurement is able to detect earlier stages of crystallization than obtained by differential scanning calorimetry measurement. The activation energy obtained from the shift of extrapolated end of TMA curve with heating rate (E = 263 ± 7 kJ mol?1) is similar to the activation energy of ??-GeS2 crystal growth in Ge38S62 glass (E G = 247 ± 23 kJ mol?1) obtained from direct optical microscopy measurements. 相似文献
10.
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. 相似文献
11.
《Radiation Physics and Chemistry》2004,69(3):211-216
The temperature dependence of the rate constant for the reactions of HO2 with OH, H, Fe2+ and Cu2+ has been determined using pulse radiolysis technique. The following rate constants, k (dm3 mol−1 s−1) at 20°C and activation energies, Ea (kJ mol−1) have been found. The reaction with OH was studied in the temperature range 20–296°C (k=7.0×109, Ea=7.4) and the reaction with H in the temperature range 5–149°C (k=8.5×109, Ea=17.5). The reaction with Fe2+ was studied in the temperature range 16–118°C (k=7.9×105, Ea=36.8) and the reaction with Cu2+ in the temperature range 17–211°C (k=1.1×108, Ea=14.9). 相似文献
12.
New energetic materials, [Ca(MCZ)3(H2O)2](ClO4)2 and {[Ba2(MCZ)4(H2O)2(μ1-ClO4)2(μ2-ClO4)2]0.5}n, are synthesized and tried as alternatives to common primary explosives. Both the crystal structures were determined by single-crystal X-ray diffraction. The crystal of [Ca(MCZ)3(H2O)2](ClO4)2 belongs to the monoclinic, P21/c space group, a = 14.168(3) Å, b = 8.5938(18) Å, c = 18.889(4) Å, β = 111.234(2)°, V = 2143.8(8) Å3, ρ = 1.6893 g cm?3, and {[Ba2(MCZ)4(H2O)2(μ1-ClO4)2(μ2-ClO4)2]0.5}n belongs to the triclinic, P-1 space group, a = 7.166(2) Å, b = 10.461(2) Å, c = 11.738(4) Å, α = 110.563(5)°, β = 93.799(2)°, γ = 96.864(3)°, V = 812.4(4) Å3, ρ = 2.185 g cm?3. Their thermal stabilities were investigated by differential scanning calorimetry (DSC), and exothermic peak temperatures with a heating rate of 10 °C min?1 are 249.7 and 181.7 °C, respectively. Non-isothermal reaction kinetics parameters were calculated via both Kissinger’s method and Ozawa-Doyle’s method to work out EK = 124.6 kJ mol?1, lgAK = 10.38, EO = 126.7 kJ mol?1 for the calcium complex and EK = 100.3 kJ mol?1, lgAK = 9.50, EO = 102.6 kJ mol?1 for the barium complex. Additionally, the critical temperatures of thermal explosion, ΔS≠, ΔH≠, and ΔG≠ were calculated as ?231.2 J K?1 mol?1, 120.417 kJ mol?1, 236.728 kJ mol?1 for the calcium complex and ?230.6 J K?1 mol?1, 96.723 kJ mol?1, 195.938 kJ mol?1 for the barium complex. As for their explosive nature, sensitivities toward impact and friction were tested. Both [Ca(MCZ)3(H2O)2](ClO4)2 and {[Ba2(MCZ)4(H2O)2(μ1-ClO4)2(μ2-ClO4)2]0.5}n are insensitive to friction (>360 N); their impact sensitivities are acceptable (20 and 13 J). Both compounds are energetic complexes. 相似文献
13.
V. A. Drebushchak M. A. Mikhailenko Tatyana P. Shakhtshneider Svetlana A. Kuznetsova 《Journal of Thermal Analysis and Calorimetry》2013,111(3):2005-2008
Orthorhombic (s.g. P 21 21 2, a = 28.6145 Å, b = 27.4115 Å, c = 6.9536 Å, V = 5454.1 Å3) betulin (C30H50O2) was found in this study to melt at 245 °C with the enthalpy of fusion 40.3 J mol?1. The shape of the peak of melting gives rise to the belief that there are several polymorphs of betulin. 相似文献
14.
Bao-Di Xue Qi Yang San-Ping Chen Sheng-Li Gao 《Journal of Thermal Analysis and Calorimetry》2010,101(3):997-1002
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. 相似文献
15.
Chloroacetyl chloride is studied by gas-phase electron diffraction at nozzle-tip tempera- tures of 18, 110 and 215°C. The molecules exist as a mixture of anti and gauche confor- mers with the anti form the more stable. The composition (mole fraction) of the vapor with uncertainties estimated at 2σ is found to be 0.770 (0.070), 0.673 (0.086) and 0.572 (0.086) at 18, 110 and 215°C, respectively. These values correspond to an energy difference with estimated standard deviation ΔEo = Eog -Eoa = 1.3 ± 0.4 kcal mol?1 and an entropy difference ΔSo = Sog -Soa = 0.7 ± 1.1 cal mol?1 K?1. Certain of the diffraction results permit the evaluation of an approximate torsional potential function of the form 2V = V1(1 - cos φ) + V2(1 - cos 2φ) + V3(1 - cos 3φ); the results are V1 = 1.19 ± 0.33, V2 = 0.56 ± 0.20 and V3 = 0.94 ± 0.12, all in kcal mol?1. The results for the distance (ra), angle (∠α) and r.m.s. amplitude parameters obtained at the three temperatures are entirely consistent. At 18°C the more important parameters are, with estimated uncertainties of 2σ, r(C-H) = 1.062(0.030) Å, r(CO) = 1.182(0.004) Å, r(C-C) = 1.521(0.009) Å. r(CO-Cl) = 1.772(0.016) Å, r(CH2-Cl) = 1.782(0.018) Å, ∠C-C-0 = 126.9(0.9)°, ∠CH2-CO-C1 = 110.0(0.7)°,∠CO-CH2-C1 = 112.9(1–7)°, ∠H-C-H = 109.5° (assumed), ∠φ (gauche torsion angle relative to 0° for the anti form) = 116.4(7.7)°, δ (r.m.s. amplitude of torsional vibration in the anti conformer) == 17.5(4.2)°. 相似文献
16.
《Journal of Coordination Chemistry》2012,65(1):181-194
Both [Cu(DAT)2(PA)2] (1) and [Cu(DAT)2(HTNR)2] (2) were prepared from 1,5-diaminotetrazole (DAT) and copper trinitrophenol, 1 for picrate (PA) and 2 for styphnate acid (2,4,6-trinitro resorcinol, TNR), and were characterized by elemental analysis, FT-IR spectroscopy, and single crystal X-ray diffraction. The space group of these compounds is P21/c (monoclinic). The lattice parameters are similar [a = 11.405(3) Å, b = 14.867(3) Å, c = 8.099(2) Å for 1 and a = 12.262(3) Å, b = 14.900(3) Å, c = 7.243(2) Å for 2], except the β = 106.257(3)° in 1 and β = 92.989(4)° in 2. Both have extended structures due to hydrogen bonds, but there are some differences because of the ligands induced effect. Differential scanning calorimetry analysis shows that two exothermic processes take place in both complexes, the first peak temperatures are 488.2 K for 1 and 519.2 K for 2. The kinetic parameters of the first exothermic process were studied by using Kissinger’s method and Ozawa’s method, in which the enthalpy of formation (?7346 and ?5706 kJ M?1), critical temperature of thermal explosion (475.0 and 515.8 K), entropy of activation (ΔS≠), enthalpy of activation (ΔH≠), and free energy of activation (ΔG≠) were calculated and obtained as ?117.25 J K?1 M?1, 140.64 kJ M?1, 196.44 kJ M?1 and ?219.1 J K?1 M?1, 383.56 kJ M?1, 495.34 kJ M?1 for 1 and 2, respectively. The sensitivity test results showed that both compounds were sensitive to impact (<5 J) and flame (>20 cm) rather than friction. 相似文献
17.
Qin Meng Guo-Ming Wang Jing Xue Bai-Feng Yang Huan He Guo-Yu Yang 《Journal of Cluster Science》2014,25(5):1319-1329
Two strontium borates Sr2[B6O9(OH)4] (1) and Sr2B5O9(OH)·H2O (2), with acentric structures have been synthesized under hydro/solvothermal conditions. Compound 1 is reported for the first time in the strontium borates system, and it crystallizes in the monoclinic space group P21 with unit cell parameters a = 6.8445(5) Å, b = 8.7033(6) Å, c = 8.4632(6) Å, β = 100.581(6)°, V = 495.58(6) Å3 and Z = 2. Its structure consists of unusual borate layers of 3, 11-membered rings, which are interconnected via Sr–O ionic bonds and hydrogen bonds to generate a 3D supramolecular network. Compound 2 is a known strontium borate, crystallizing in the monoclinic space group C 2 with a = 10.161 (13) Å, b = 7.965(4) Å, c = 6.393(11) Å, β = 128.0(2)°, V = 407.7(14) Å3 and Z = 2. Second-harmonic generation measurements on the powder samples reveal that 1 and 2 exhibits good SHG efficiency about 1.5 and 2 times that of KDP (KH2PO4) powder respectively. 相似文献
18.
Aliakbar Dehno Khalaji Gholamhossein Grivani Samaneh Jalali Akerdi Kazuma Gotoh Hiroyuki Ishida Hossein Mighani 《Structural chemistry》2010,21(5):995-1003
Two thiosemicarbazones, (E)-2-(2,4-dimethoxybenzylidene)thiosemicarbazone (24-MBTSC (1)) and (E)-2-(2,5-dimethoxybenzylidene)thiosemicarbazone (25-MBTSC (2)), derived from 2,4-dimethoxybenzaldehyde and 2,5-dimethoxybenzaldehyde, respectively, with thiosemicarbazide have been synthesized and their structures were characterized by elemental analyses, FT-IR, 1H NMR spectroscopy, and X-ray single-crystal diffraction analysis. Molecular orbital calculations have been carried out for 1 and 2 by using an ab initio method (HF) and also density functional method (B3LYP) at 6-31G basis set. Compound 1 crystallizes in the monoclinic system, space group P21/c, with a = 8.1342(5) Å, b = 18.1406(10) Å, c = 8.2847(6) Å, β = 109.7258(17)°, V = 1150.75(12) Å3, and Z = 4, whereas compound 2 crystallizes in the orthorhombic system, space group Pbca, with a = 11.0868(6) Å, b = 13.1332(6) Å, c = 15.9006(8) Å, V = 2315.2(2) Å3, and Z = 8. The compounds 1 and 2 displays a trans-configuration about the C=N double bond. 相似文献
19.
A. V. Pisareva G. V. Shilov A. I. Karelin Yu. A. Dobrovolsky R. V. Pisarev 《Russian Journal of Physical Chemistry A, Focus on Chemistry》2010,84(3):444-459
The crystal and molecular structure of 2-hydroxy4-methylbenzenesulfonic acid dihydrate C6H3(CH3)(OHSO? 3 H5O2 + (I) was studied by X-ray diffraction and vibrational spectroscopy. The compound crystallized in the monoclinic crystal system; crystal data: a=10.853(2) Å, b=7.937(2) Å, c=12.732(3) Å, β=112.13(3)°, V=1015.9(4)Å3,Z=4,dcalc=1.466g/cm3,spacegroupP21/c,Rf=0.0486,GOOF=1.161.The S-O distances in the sulfonate group differed substantially (S1-O2 1.439(2) Å, S1-O3 1.455(2) Å, and S1-O4 1.464(2) Å. The symmetry of the H5O2 cation decreased due to proton displacement toward one of the two water molecules. XRD data on the asymmetry of H5O2 were confirmed by IR and Raman spectral data. The strong triplet at 2900, 3166, 3377 cm?1 in the IR spectrum of I corresponds to different types of H-bond and shifted to 2185, 2363, 2553 cm?1 after deuteration. The proton conductivity of the compound was measured by impedance spectroscopy: 6 × 10?7 S/cm at 298 K (32 rel %), E act=0.4±0.01 eV. The conductivity increased to 10-3 S/cm, Eact=0.1 eV when ambient humidity increased to 60 rel %. 相似文献
20.
Chun-Lai Zhao Li-Fu Xie Bing Li Xin Qiao Cheng-Zhi Xie 《Journal of Coordination Chemistry》2016,69(14):2182-2192
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. 相似文献