Sigma-complex formation and oxidative nucleophilic aromatic substitution in 4-nitro-2,1,3-benzoxadiazoles

The feasibility of carrying out nucleophilic displacement of hydrogen from highly electron-deficient heteroaromatics has been addressed through a detailed investigation of the interaction of a series of nitrobenzofuroxans 3a-i and two related heterocycles 5 and 6, with the 2-nitropropenide anion. Although this series corresponds to a large modulation in the electrophilic properties of the six-membered ring, all reactions first lead to the quantitative formation of the sigma-adducts C-3a-i, C-5 and C-6 arising from covalent addition of the nucleophile to the C-7 carbon. With the exception of the 4-aza substituted member C-5, all the adducts have been isolated as pure and very stable alkali salts. Measurements of the oxidation potentials by cyclic voltammetry reveal that the ease of subsequent hydrogen substitution at carbon-7 strongly decreases with increasing electron deficient character of the six-membered ring. The measured E0 values are in the range 0.5-0.6 V (vs. SCE) for the 4-nitro-benzofuroxan and -benzofurazan adducts (C-3e, C-3i) but they go up to 1.20-1.33 V for the 4,6-dinitro- and 4-nitro-6-trifluoromethanesulfonylbenzofuroxan adducts (C-3a,d) in acetonitrile. Consistently with these E0 values, only very powerful oxidants such as the Ce4+/Ce3+ or the MnO4-/Mn2+ couples can successfully oxidize the adducts leading to the expected substitution products in moderate to good yields (35-72%). Interestingly, the rearomatization of the 4-nitro substituted benzofuroxan adducts proceeds with a partial Boulton-Katritzky rearrangement of the resulting products. Another noteworthy result is that the 4-nitrobenzofuroxan and 4-nitrobenzofurazan molecules suffer competitive addition of the (CH3)2C-NO2- anion to the 5- and 7- positions under some experimental conditions. This represents the first well-defined example of isomeric addition of a carbon nucleophile to these heterocycles.     

Evaluation of the extent of conjugation in symmetrical and asymmetrical aryl-substituted acetophenone azines using electrochemical methods.

The electrochemical behavior of a series of symmetrical and unsymmetrical aryl-substituted acetophenone azines (1-X/Y, where X and Y are 4-NO2, 4-CN, H, 3-OCH3, 4-OCH3, 4-CH3, and 4-N(CH3)2) was studied in acetonitrile and N,N-dimethylformamide (DMF) solution using cyclic voltammetry (CV). Compounds 1-X/Y, where neither X or Y are nitro substituents, undergo successive reduction to their radical anion (1-X/Y.-) and then dianion (1-X/Y2-), respectively. In all cases, the formation of the radical anion is completely reversible and the standard reduction potentials, Eo1-X/Y/1-X/Y.- could be determined. The reversibility of the second electron transfer is substituent dependent with certain dianions sufficiently basic to be protonated under our conditions. Standard reduction potentials (Eo1-X/Y/1-X/Y.-) for the formation of radical anions exhibit a large substituent effect with values differing by more than 0.66 V throughout the series going from 1-4-CN/4-CN to 1-4-OCH3/4-OCH3; similar substituent effects were determined for the formation of the dianion. The nitro-containing azines deviate from the above-mentioned behavior. With the exception of 1-4-NO2/4-NO2, they exhibit single electron waves that have values of Eo1-X/Y/1-X/Y.- within 40 mV of each other and thus the reduction is not subject to the same substituent effect as the other azines. 1-4-NO2/4-NO2 exhibits an Eo at a similar potential, but is a two-electron reversible wave with features indicative of a reduction system containing two localized, nonconjugated redox centers. The reduction potentials of all the aryl azines were correlated with Hammett sigma parameters to look at variations in Eo1-X/Y/1-X/Y.- vs SCE as a function of substituent. The small rho values in combination with the other electrochemical data provide support for single bond character of the N-N bond and evidence for a lack of strong electronic communication between the two aryl centers through the azomethine bonds, especially for those systems with electron-withdrawing groups.     

Synthesis, structure, and characterisation of a new phenolato-bridged manganese complex [Mn2(mL)2]2+: chemical and electrochemical access to a new mono-mu-oxo dimanganese core unit

The dinuclear phenolato-bridged complex [(mL)Mn(II)Mn(II)(mL)](ClO(4))(2) (1(ClO(4))(2)) has been obtained with the new [N(4)O] pentadentate ligand mL(-) (mLH=N,N'-bis-(2-pyridylmethyl)-N-(2-hydroxybenzyl)-N'-methyl-ethane-1,2-diamine) and has been characterised by X-ray crystallography. X- and Q-band EPR spectra were recorded and their variation with temperature was examined. All spectra exhibit features extending over 0-800 mT at the X band and over 100-1450 mT at the Q band, features that are usually observed for dinuclear Mn(II) complexes. Cyclic voltammetry of 1 exhibits two irreversible oxidation waves at E(1)(p)=0.89 V and E(2)(p)=1.02 V, accompanied on the reverse scan by an ill-defined cathodic wave at E(1')(p)=0.56 V (all measured versus the saturated calomel electrode (SCE)). Upon chemical oxidation with tBuOOH (10 equiv) at 20 degrees C, 1 is transformed into the mono-mu-oxo species [(mL)Mn(III)-(mu-O)-Mn(III)(mL)](2+) (2), which eventually partially evolves into the di-mu-oxo species [(mL)Mn(III)-(mu-O)(2)-Mn(IV)(mL)](n+) (3) in which one of the aromatic rings of the ligand is decoordinated. The UV/Vis spectrum of 2 displays a large absorption band at 507 nm, which is attributed to a phenolate-->Mn(III) charge-transfer transition. The cyclovoltammogram of 2 exhibits two reversible oxidation waves, at 0.65 and 1.16 V versus the SCE, corresponding to the Mn(III)Mn(III)/Mn(III)Mn(IV) and Mn(III)Mn(IV)/Mn(IV)Mn(IV) oxidation processes, respectively. The one-electron electrochemical oxidation of 2 leads to the mono-mu-oxo mixed-valent species [(mL)Mn(III)-(mu-O)-Mn(IV)(mL)](3+) (2 ox). The UV/Vis spectrum of 2 ox exhibits one large band at 643 nm, which is attributed to the phenolate-->Mn(IV) charge-transfer transition. 2 ox can also be obtained by the direct electrochemical oxidation of 1 in the presence of an external base. The 2 ox and 3 species exhibit a 16-line EPR signal with first peak to last trough widths of 125 and 111 mT, respectively. Both spectra have been simulated by using colinear rhombic Mn-hyperfine tensors. Mechanisms for the chemical formation of 2 and the electrochemical oxidation of 1 into 2 ox are proposed.     

1,8-亚乙基萘在三氟化硼乙醚-聚乙二醇中的电化学聚合

在三氟化硼乙醚(BFEE)-聚乙二醇(分子量400,PEG400)混合电解质溶液中,1,8-亚乙基萘直接阳极氧化聚合可以获得自支撑聚(1,8-亚乙基萘)膜.单体在三氟化硼乙醚+10%PEG400中的起始氧化电位为0.95 Vversus SCE,远低于单体在0.1 mol.L-1四氟化硼四丁基胺-乙腈溶液中的起始氧化电位(1.38 VversusSCE).同时PEG400的加入可以有效改善单体在三氟化硼乙醚中的溶解性.UV-Vis,FTIR和1H-NMR确定了1,8-亚乙基萘在4,5位聚合,荧光光谱表明固态及可溶聚(1,8-亚乙基萘)膜是蓝色发光材料.     

Zinc catechin complexes in aprotic medium. Redox chemistry and interaction with superoxide radical anion

The redox chemistry of catechin and its zinc(II) complexes has been studied in dimethyl sulfoxide. In the absence of base, catechin undergoes oxidation processes at 0.96 and 1.24 V versus SCE. The first process corresponds to the formation of the quinonic form of the catechol moiety. In the presence of 1 equiv. of base, a stable 1:2 complex is formed with oxidation processes that show up at 0.26 and 0.62 V versus SCE. The voltammetric and spectroscopic characterization of the species produced after the oxidation processes are described. Upon interaction of the complex with superoxide radical anion in dimethyl sulfoxide, its basic character causes the formation of the monoanion of catechin leading to a more stable zinc(II) complex. Protonated superoxide disproportionates to molecular oxygen and peroxide leading to oxidation of the bound ligand. Upon complexation the oxidation potentials decrease, favoring thermodynamically the antioxidant action of this flavonoid.     

光谱电化学法研究亚甲基蓝的电还原反应

用极谱法研究亚甲基蓝(MB)的电极吸附过程早有报道.近几年,用光谱电化学法研究其电化学行为又引起了许多人的兴趣.但在光透薄层电极上,由于光程太短,测试溶液浓度较高,导致亚甲基蓝发生聚合,影响实验结果的准确测定.为此本文利用特制的比色皿型长光程薄层光谱电化学池,在低浓度条件下研究其在SnO_2镀膜玻璃电极上的电还原反应.     

Preparation of non-peptide,highly potent and selective antagonists of arginine vasopressin V1A receptor by introduction of alkoxy groups

A series of compounds structurally related to 4'-[(4,4-difluoro-5-methylidene-2,3,4,5-tetrahydro-1H-1-benzoazepin-1-yl)carbonyl]benzanilide were synthesized and evaluated for arginine vasopressin (AVP) antagonistic activity. Compounds with alkoxy groups (especially ethoxy group) at the 2'-position of benzanilide possessed potent affinity and selectivity for the V1A receptor versus V2 receptor. Further study has shown that the introduction of 4,4-dimethylaminopiperidino and morpholino groups at carbonylmethylene exhibited more potent affinity and selectivity for V1A receptors. Consequently, we found that the (Z)-4'-([4,4-Difluoro-5-[(4-dimethylaminopiperidino)carbonylmethylene]-2,3,4,5-tetrahydro-1H-1-benzoazepin-1-yl]carbonyl)-2-ethoxybenzanilide monohydrochloride (8d) and the (Z)-4'-[(4,4-Difluoro-5-morpholinocarbamoylethylene-2,3,4,5-tetrahydro-1H-1-benzoazepin-1-yl)carbonyl]-2-ethoxybenzanilide (8q) exhibited potent and selective V1A receptor antagonist activity. The synthesis and pharmacological properties of these compounds are detailed in this paper.     

The effect of concentration in electrochemical oxidation of thiocyanate on platinum electrode

Electrochemical oxidation of thiocyanate (SCN⁻) on platinum electrode in the sulfuric acid medium was studied using cyclic voltammetry, in situ UV-visible absorption measurement, rotating ring-disc electrode voltammetry, and electrical impedance spectroscopy. Two oxidation processes are involved in the electrochemical oxidation of SCN⁻ in sulfuric acid medium. The adsorbed SCN⁻ undergoes oxidation at potential values higher than 0.900 V versus saturated calomel electrode (SCE). Trithiocyanate, , is formed as a relatively stable product during the first oxidation process. The potential range of formation increases with increase in concentration of SCN⁻, and it is exclusively produced in the potential range of 0.550 to 1.40 V versus SCE with 1.0 M NH₄SCN solution. The second oxidation process does not produce any stable product, and the products of second oxidation passivate the electrode surface.     

Low potential electrochemical polymerization of diphenyl ether and characterization of its polymers

High‐quality poly(diphenyl ether) (PDPE) films with electrical conductivity of 4.4 × 10^?1 S cm^?1 were synthesized electrochemically by direct anodic oxidation of diphenyl ether (DPE) in boron trifluoride diethyl etherate (BFEE) containing 5% concentrated sulfuric acid (SA) (by volume). The oxidation potential onset of DPE in pure BFEE was measured to be only 1.37 V versus a saturated calomel electrode (SCE), which was much lower than that determined in acetonitrile + 0.1 mol L^?1 tetrabutylammonium tetrafluoroborate (1.98 V vs. SCE). The addition of SA to BFEE can further decrease the oxidation potential onset of the monomer to 1.18 V versus SCE in the mixed electrolyte of BFEE + 5% SA. PDPE films obtained from this medium showed good redox activity and stability even in concentrated SA. Dedoped PDPE films were partly soluble in the strong polar organic solvent dimethyl sulfoxide. Fluorescent spectral studies indicated that soluble PDPE was a good blue‐light emitter with a quantum yield of 0.30. Infrared spectroscopy and quantum chemistry calculations indicated that the electropolymerization of DPE occurred mainly at C₄ and C_4′. © 2007 Wiley Periodicals, Inc. J Polym Sci Part A: Polym Chem 45: 5932–5941, 2007     

Electron-transfer oxidation properties of unsaturated fatty acids and mechanistic insight into lipoxygenases

Rate constants of photoinduced electron-transfer oxidation of unsaturated fatty acids with a series of singlet excited states of oxidants in acetonitrile at 298 K were examined and the resulting electron-transfer rate constants (k(et)) were evaluated in light of the free energy relationship of electron transfer to determine the one-electron oxidation potentials (E(ox)) of unsaturated fatty acids and the intrinsic barrier of electron transfer. The k(et) values of linoleic acid with a series of oxidants are the same as the corresponding k(et) values of methyl linoleate, linolenic acid, and arachidonic acid, leading to the same E(ox) value of linoleic acid, methyl linoleate, linolenic acid, and arachidonic acid (1.76 V vs SCE), which is significantly lower than that of oleic acid (2.03 V vs SCE) as indicated by the smaller k(et) values of oleic acid than those of other unsaturated fatty acids. The radical cation of linoleic acid produced in photoinduced electron transfer from linoleic acid to the singlet excited state of 10-methylacridinium ion as well as that of 9,10-dicyanoanthracene was detected by laser flash photolysis experiments. The apparent rate constant of deprotonation of the radical cation of linoleic acid was determined as 8.1 x 10(3) s(-1). In the presence of oxygen, the addition of oxygen to the deprotonated radical produces the peroxyl radical, which has successfully been detected by ESR. No thermal electron transfer or proton-coupled electron transfer has occurred from linoleic acid to a strong one-electron oxidant, Ru(bpy)3(3+) (bpy = 2,2'-bipyridine) or Fe(bpy)3(3+). The present results on the electron-transfer and proton-transfer properties of unsaturated fatty acids provide valuable mechanistic insight into lipoxygenases to clarify the proton-coupled electron-transfer process in the catalytic function.     

Assessing the nitrogen and carbon nucleophilicities of 2-aminothiazoles through coupling with superelectrophilic 4,6-dinitrobenzofuroxan

The reactions of 2-aminothiazole (1a), 4-methyl-2-aminothiazole (1b), and 4,5-dimethyl-2-aminothiazole (1c) with superelectrophilic 4,6-dinitrobenzofuroxan (DNBF) have been studied in acetonitrile and a 70/30 (v/v) H2O/Me2SO mixture. While exhibiting a somewhat higher nitrogen basicity than that of anilines, 1a and 1b do not react as nitrogen nucleophiles, affording exclusively anionic C-bonded sigma-adducts (C-1a and C-1b) through electrophilic S(E)Ar substitution of the thiazole ring by DNBF. Only in the case of the 4,5-dimethyl derivative 1c a N-adduct, N-1c, was obtained. On the basis of 1H-15N correlations, it is demonstrated that this adduct, N-1c;1c,H+, is derived from DNBF addition at the exocyclic amino group and not at the endocyclic nitrogen center of 1c. Rate constants have been determined in the two solvents for the formation of the adducts, revealing a reactivity sequence which accounts well for the finding that 1a and 1b behave preferentially as carbon rather than nitrogen nucleophiles. The enaminic character of these thiazoles is assessed through an estimation of the pKa values for their C-protonation in aqueous solution as well as through a positioning of their reactivity on the nucleophilicity scale recently developed by Mayr et al. (Acc. Chem. Res. 2003, 36, 66). With N values of the order of 6.80 and 5.56, 1b and 1a have a carbon nucleophilicity comparable to that of N-methylindole and indole, respectively.     

Chemistry and reactivity of dinuclear manganese oxamate complexes: Aerobic catechol oxidation catalyzed by high-valent bis(oxo)-bridged dimanganese(IV) complexes with a homologous series of binucleating 4,5-disubstituted-o-phenylenedioxamate ligands

The high-valent bis(oxo)-bridged dimanganese(IV) complexes with the series of binucleating 4,5-X₂-o-phenylenebis(oxamate) ligands (opbaX₂; X = H, Cl, Me) (1a–c) have been synthesized and characterized structurally, spectroscopically and magnetically. Complexes 1a–c possess unique Mn₂(μ-O)₂ core structures with two o-phenylenediamidate type additional bridges which lead to exceptionally short Mn–Mn distances (2.63–2.65 Å) and fairly bent Mn–O–Mn angles (94.1°–94.6°). The cyclovoltammograms of 1a–c in acetonitrile (25 °C, 0.1 M Bu₄NPF₆) show an irreversible one-electron oxidation peak at moderately high anodic potentials (E_ap = 0.50–0.85 V versus SCE), while no reductions are observed in the potential range studied (down to −2.0 V versus SCE). These dinuclear manganese oxamate complexes are excellent catalysts for the aerobic oxidation of 3,5-di-tert-butylcatechol to the corresponding o-quinone in acetonitrile at 25 °C. The order of increasing catecholase activity (k_obs) with the electron donor character of the ligand substituents as 1b (X = Cl) < 1a (X = H) < 1c (X = Me) correlates with Hammett σ⁺ values (ρ = −0.95). A mechanism involving initial activation of the catechol substrate by coordination to the dimetal center and subsequent oxidation to quinone by O₂ is proposed, which is consistent with the observed saturation kinetics.     

Electrochemical behavior of pyrroloquinoline quinone immobilized on silica gel modified with zirconium oxide

Pyrroloquinoline quinone (PQQ) was immobilized on the silica gel surface modified with zirconium oxide, designated as Si:Zr, by the carboxylic groups of the PQQ molecule and the zirconium oxide on the silica surface. The electrochemistry of PQQ immobilized on the Si:Zr matrix, incorporated in a carbon paste electrode, was evaluated using the cyclic voltammetry technique. The Si:Zr:PQQ-modified electrode showed a redox couple at E(m)=(E(pa1)+E(pc))/2=-0.150 V vs SCE at pH 7, close to that observed in aqueous solution, and another oxidation peak, E(pa2)=-0.100 V vs SCE. Studies in different pH solutions in the range of 3-7 showed that the first oxidation peak, E(pa1), is highly dependent on the solution pH shifting from to -0.175 to 0.100 V vs SCE, while E(pa2) remains practically constant at 0.100 V as the pH decreases from 7 to 3. The immobilized PQQ electrode presented the property to electrocatalyze the NADH at 150 mV vs SCE. The effect of addition of Ca(2+) ions on the electrode electroactivity for the NADH oxidation was also verified. Different from that observed for the PQQ immobilized on other electrode materials, the Ca(2+) ions did not influence the electrocatalytical response; however, the electrode stability was considerably improved in the presence of Ca(2+) ions, indicating that the matrix surface has a great influence on the electrochemical behavior of PQQ.     

Synthesis, structural determination and dynamic behavior of 2-chloro-4,6-bis(pyrazolylamino)-1,3,5-triazines

A series of 2-chloro-4,6-bis(pyrazolylamino)-1,3,5-triazines with applications in crystal engineering have been prepared. At low temperature, the presence of two or three isomers has been detected and these assigned to 4,6-diamino-1,3,5-triazine structures on the basis of comparison with model compounds. 2D-Exchange spectroscopy studies in various solvents and at different temperatures have been used to determine the equilibrium constants and the activation free energies of the restricted rotation about the amino-triazine bond. A plot of the activation free energy versus temperature showed a good linear correlation and confirmed that the same process is present in all of the compounds under investigation. Comparison with model compounds also confirmed both the occurrence of the restricted rotation and the 4,6-diamino-1,3,5-triazine tautomerism for triazines 1-4 in solution. The structure of compound 1 has been determined in the solid state by X-ray crystallography and consists ofa 4,6-diamino- 1,3,5-triazine structure stabilized by intra and intermolecular hydrogen bonds.     

Synthesis of bis-2H and 4H-chalcogenapyrans and benzochalcogenapyrans via Pd catalyzed dimerization of Fischer type carbene complexes: redox properties and electronic structure of these new extended electron rich molecules

Extended electron rich bis-chalcogenapyrans and bis-benzochalcogenapyrans have been synthesized by Pd⁰ catalyzed dimerization of α- and γ-methylene chalcogenapyran and benzochalcogenapyran Fischer type carbene complexes. Voltammetric studies performed on these molecules show a single two-electron wave around 0 V versus SCE, which is ascribed to the oxidation of the neutral form in radical and dipyrylium cations. DFT calculations show that the oxidation leads to a rotating movement around the central C-C bond and suggest that the solvent plays a major role in the observation of the two one-electron systems. Furthermore, according to the structure, these molecules are likely to be reduced at very low potential (E=−1.5 V vs SCE) via a two-electron transfer reaction.     

Reversible electrochemistry of DNA on multi-walled carbon nanotube modified electrode

Calf thymus DNA was electrochemically oxidized at a multi-walled carbon nanotube modified electrode. The potentials for DNA oxidation at pH 7.0 were 0.71 and 0.81 V versus SCE, corresponding to the oxidation of guanine and adenine residues, respectively. The initial 6e-oxidation of adenine, observed in the first scan, resulted a quasi-reversible 2e-redox process of the oxidation product in the following scans.     

三氟化硼乙醚溶液中卤代芴的电化学聚合

在三氟化硼乙醚(BFEE)溶液中9-溴芴和9,9-二氯芴可以直接阳极氧化制备聚(9-溴芴)和聚(9,9-二氯芴).单体在BFEE中的起始氧化电位远低于在乙腈体系中的起始氧化电位.聚(9-溴芴)和聚(9,9-二氯芴)均可溶于强极性有机溶剂,如二甲基亚砜、四氢呋喃等,并分别表现出良好的蓝色和黄绿色发光性能,其电导率测定为10-1S/cm.红外光谱和核磁共振波谱表明聚合反应主要发生在2,7位.     

Cyclic Voltammetric and Morphological Studies of Polyaniline

Cyclic voltammograms and morphology of polyaniline were studied under various synthetic conditions and in various protonic acid media. The effect of protonic acid is not remarkable. The cyclic voltammogram and morphology depend on the synthetic conditions. The anodic peak potential at 0.14 V versus SCE in the cyclic voltammogram is pH independent. The anodic peak potential at 0.7 V versus SCE (pH=1) is pH dependent. By comparing the range of pH and oxidation potential of the conductive form, we propose that the conductive species which exists in the potential range between the first and the second peak in cyclic voltammogram is the radical cation.     

The extraordinary ability of guanidinate derivatives to stabilize higher oxidation numbers in dimetal units by modification of redox potentials: structures of Mo(2)(5+) and Mo(2)(6+) compounds

Full characterization of the first homologous series of dimolybdenum paddlewheel compounds having electronic configurations of the types sigma(2)pi(4)delta(x), x = 2, 1, 0, and Mo-Mo bond orders of 4, 3.5, and 3, respectively, has been accomplished with the guanidinate-type ligand hpp (hpp = the anion of 1,3,4,6,7,8-hexahydro-2H-pyrimido[1,2-a]pyrimidine). Essentially quantitative oxidation of Mo(2)(hpp)(4), 1, by CH(2)Cl(2) gives Mo(2)(hpp)(4)Cl, 2. The halide in 2 can be replaced by reaction with TlBF(4) to produce Mo(2)(hpp)(4)(BF(4)), 3. Further oxidation of 2 by AgBF(4) produces Mo(2)(hpp)(4)ClBF(4), 4. The change from bond order 4 (in 1) to 3.5 in Mo(2)(hpp)(4)Cl is accompanied by an increase in the Mo-Mo bond length of 0.061 to 2.1280(4) A. A further increase of 0.044 A in the Mo-Mo distance to 2.172(1) A is observed as the bond order decreases to 3 in 4. At the same time, the Mo-N distances decrease smoothly as the oxidation state of the Mo atoms increases. Electrochemical studies have shown two chemically reversible processes at very negative potentials, E(1)(1/2)= -0.444 V and E(2)(1/2)= -1.271 V versus Ag/AgCl. These correspond to the processes Mo(2)(6+/5+) and Mo(2)(5+/4+), respectively. The latter potential is displaced by over 1.5 V relative to those of the Mo(2)(formamidinate)(4) compounds and the first one has never been observed in such complexes. Thus, in surprising contrast to previously observed behavior of the dimolybdenum unit, when it is surrounded by the very basic guanidinate ligand hpp, there is an extraordinary stabilization of the higher oxidation numbers of the molybdenum atoms.     

Synthesis,Structure and Thermal Stability of a Cadmium Coordination Polymer：[Cd（phen）（4,6-dimethyl-5-nitro-isophthalic Acid）]_n

One cadmium(Ⅱ)coordination polymer [Cd(phen)(4,6-dimethyl-5-nitro-isophtha-lic acid)]n(1)has been synthesized with 4,6-dimethyl-5-nitro-isophthalic acid,phen(phen = 10-phenanthroline),and cadmium nitrate in the mixture of DMSO:H2O(V:V = 2:1).Crystallogra-phic data for this complex:monoclinic,space group P21/c,with a = 11.668(2),b = 11.841(6),c = 14.446(2),β = 102.440(4)°,V = 1.9491(8)3,Dc = 1.805 g/cm3,Z = 1,F(000)= 1056,GOOF = 0.999,R = 0.0280 and wR = 0.0662.The crystal structure analysis indicates that the cadmium ion is coordinated with two nitrogen atoms of one 1,10-phenanthroline molecule and five oxygen atoms from three 4,6-dimethyl-5-nitro-isophthalic acid molecules.The curve of TGA shows that 1 is stable up to 380.0 ℃.