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1.
In the crystal structure of the title compound, [N,N′‐bis(3‐­amino­propyl)­ethyl­enedi­amine‐κ4N,N′,N′′,N′′′][1,3,5‐triazine‐2,4,6(1H,3H,5H)‐tri­thionato(2−)‐κ2N,S]­zinc(II) ethanol sol­vate, [Zn(C8H22N4)2(C3HN3S3)]·C2H6O, the ZnII atom is octa­hedrally coordinated by four N atoms [Zn—N = 2.104 (2)–2.203 (2) Å] of a tetradentate N‐donor N,N′‐bis(3‐­amino­propyl)­ethyl­enedi­amine (bapen) ligand and by two S and N atoms [Zn—S = 2.5700 (7) Å and Zn—N = 2.313 (2) Å] of a tri­thio­cyanurate(2−) (ttcH2−) dianion bonded as a bidentate ligand in a cis configuration. The crystal structure of the compound is stabilized by a network of hydrogen bonds.  相似文献   

2.
The title compound, {[Zn4(C8H4O4)3(OH)2(C12H6N2O2)2]·2H2O}n, has been prepared hydrothermally by the reaction of Zn(NO3)2·6H2O with benzene‐1,4‐dicarboxylic acid (H2bdc) and 1,10‐phenanthroline‐5,6‐dione (pdon) in H2O. In the crystal structure, a tetranuclear Zn4(OH)2 fragment is located on a crystallographic inversion centre which relates two subunits, each containing a [ZnN2O4] octahedron and a [ZnO4] tetrahedron bridged by a μ3‐OH group. The pdon ligand chelates to zinc through its two N atoms to form part of the [ZnN2O4] octahedron. The two crystallographically independent bdc2− ligands are fully deprotonated and adopt μ3‐κOO′:κO′′ and μ4‐κOO′:κO′′:κO′′′ coordination modes, bridging three or four ZnII cations, respectively, from two Zn4(OH)2 units. The Zn4(OH)2 fragment connects six neighbouring tetranuclear units through four μ3‐bdc2− and two μ4‐bdc2− ligands, forming a three‐dimensional framework with uninodal 6‐connected α‐Po topology, in which the tetranuclear Zn4(OH)2 units are considered as 6‐connected nodes and the bdc2− ligands act as linkers. The uncoordinated water molecules are located on opposite sides of the Zn4(OH)2 unit and are connected to it through hydrogen‐bonding interactions involving hydroxide and carboxylate groups. The structure is further stabilized by extensive π–π interactions between the pdon and μ4‐bdc2− ligands.  相似文献   

3.
tert‐Butyl, cyclohexyl, n‐propyl, and n‐dodecyl vinyl ethers have been used as comonomers with styrene and methyl methacrylate using 13C‐enriched samples of azobis(isobutyronitrile) and benzoyl peroxide as initiators at 60°C. Examination by 13C‐NMR spectroscopy of either (13CH3)2C(CN) or Ph13COO end‐groups in the products has shown that the vinyl ethers have low reactivities toward the 2‐cyano‐2‐propyl radical but high reactivities toward the benzoyloxy radical. © 1999 John Wiley & Sons, Inc. J Polym Sci A: Polym Chem 37: 771–777, 1999  相似文献   

4.
Yellow needle‐shaped crystals of the title compound, {[Ag(C30H22N4)][Ag(NO3)2]}n, were obtained by the reaction of AgNO3 and 9,10‐bis(benzimidazol‐1‐ylmethyl)anthracene (L) in a 2:1 ratio. The asymmetric unit consists of two AgI cations, one half L ligand and one nitrate anion. One AgI cation occupies a crystallographic inversion centre and links two N‐atom donors of two distinct L ligands to form an infinite one‐dimensional coordination polymer. The second AgI cation lies on a crystallographic twofold axis and is coordinated by two O‐atom donors of two nitrate anions to form an [Ag(NO3)2] counter‐ion. The polymeric chains are linked into a supramolecular framework via weak Ag...O [3.124 (5) Å] and Ag...π (2.982 Å) interactions (π is the centroid of an outer anthracene benzene ring). The π interactions contain two short Ag...C contacts [2.727 (6) and 2.765 (6) Å], which can be considered to define Ag–η2‐anthracene bonding interactions. In comparison with a previously reported binuclear AgI complex [Du, Hu, Zhang, Zeng & Bu (2008). CrystEngComm, 10 , 1866–1874], this new one‐dimensional coordination polymer was obtained by changing the metal–ligand ratio during the synthesis.  相似文献   

5.
The cobalt(II) compound [Co5(mtpo)2(pdc)33‐OH)22‐OH)2(H2O)2]n ( 1 ) (mtpo = 7‐hydroxy‐5‐methyl‐1,3,4‐triazaindolizine, H2pdc = terephthalic acid) was synthesized by hydrothermal reaction of Co(NO3)2, mtpo, and H2pdc. X‐ray structural analysis shows that compound 1 features a 3D framework containing pentanuclear [Co5(mtpo)23‐OH)22‐OH)2(COO)3] clusters as building subunits. Topological analysis reveals that compound 1 can be simplified into a 6‐connected pcu topological network. Notably, this compound can be used as visible‐light‐driven photocatalyst for photodegradation of MB.  相似文献   

6.
In a new oxidative route, Ag+[Al(ORF)4]? (RF=C(CF3)3) and metallic indium were sonicated in aromatic solvents, such as fluorobenzene (PhF), to give a precipitate of silver metal and highly soluble [In(PhF)n]+ salts (n=2, 3) with the weakly coordinating [Al(ORF)4]? anion in quantitative yield. The In+ salt and the known analogous Ga+[Al(ORF)4]? were used to synthesize a series of homoleptic PR3 phosphane complexes [M(PR3)n]+, that is, the weakly PPh3‐bridged [(Ph3P)3In–(PPh3)–In(PPh3)3]2+ that essentially contains two independent [In(PPh3)3]+ cations or, with increasing bulk of the phosphane, the carbene‐analogous [M(PtBu3)2]+ (M=Ga, In) cations. The MI? P distances are 27 to 29 pm longer for indium, and thus considerably longer than the difference between their tabulated radii (18 pm). The structure, formation, and frontier orbitals of these complexes were investigated by calculations at the BP86/SV(P), B3LYP/def2‐TZVPP, MP2/def2‐TZVPP, and SCS‐MP2/def2‐TZVPP levels.  相似文献   

7.
A bimolecular rate constant,kDHO, of (29 ± 9) × 10?12 cm3 molecule?1 s?1 was measured using the relative rate technique for the reaction of the hydroxyl radical (OH) with 3,5‐dimethyl‐1‐hexyn‐3‐ol (DHO, HC?CC(OH)(CH3)CH2CH(CH3)2) at (297 ± 3) K and 1 atm total pressure. To more clearly define DHO's indoor environment degradation mechanism, the products of the DHO + OH reaction were also investigated. The positively identified DHO/OH reaction products were acetone ((CH3)2C?O), 3‐butyne‐2‐one (3B2O, HC?CC(?O)(CH3)), 2‐methyl‐propanal (2MP, H(O?)CCH(CH3)2), 4‐methyl‐2‐pentanone (MIBK, CH3C(?O)CH2CH(CH3)2), ethanedial (GLY, HC(?O)C(?O)H), 2‐oxopropanal (MGLY, CH3C(?O)C(?O)H), and 2,3‐butanedione (23BD, CH3C(?O)C(?O)CH3). The yields of 3B2O and MIBK from the DHO/OH reaction were (8.4 ± 0.3) and (26 ± 2)%, respectively. The use of derivatizing agents O‐(2,3,4,5,6‐pentalfluorobenzyl)hydroxylamine (PFBHA) and N,O‐bis(trimethylsilyl)trifluoroacetamide (BSTFA) clearly indicated that several other reaction products were formed. The elucidation of these other reaction products was facilitated by mass spectrometry of the derivatized reaction products coupled with plausible DHO/OH reaction mechanisms based on previously published volatile organic compound/OH gas‐phase reaction mechanisms. © 2004 Wiley Periodicals, Inc. Int J Chem Kinet 36: 534–544, 2004  相似文献   

8.
In the title compound, [Cu(C8H4O5)(C5H5N)2]n or [Cu(OH‐BDC)(py)2]n (where OH‐H2BDC is 5‐hydroxy­isophthalic acid and py is pyridine), the Cu atoms are coordinated by two N atoms from the pyridine ligands and by three O atoms from hydroxy­isophthalate ligands in a highly distorted triangular bipyramidal environment, with Cu—O distances in the range 1.941 (4)–2.225 (5) Å and Cu—N distances of 2.014 (6) and 2.046 (6) Å. The [Cu(OH‐BDC)]n two‐dimensional network is built up from interlocking 22‐, 15‐ and eight‐membered rings via sharing of Cu atoms and O—H⋯O hydrogen bonds. Consolidation of the packing structure is achieved by edge‐ or point‐to‐face C—H⋯π interactions and offset or slipped π–π stacking interactions.  相似文献   

9.
The title compound, [Cu(C19H26N3O)2], is the first reported complex of the alkyl­pyrazolone‐derived ligand 1‐n‐hexyl‐3‐methyl‐4‐[1‐(phenylimino)propyl]‐1H‐pyrazol‐5(4H)‐one. The most notable feature is the imine–enol character presented by the ligand due to coordination, in spite of its enamine–ketone structure in the free state. The ligand chelates through N and O atoms, resulting in a square‐planar coordination around the CuII atom, which lies on an inversion centre.  相似文献   

10.
The title compound, [Cd(C10H8O4)(C8H12N6)]n, crystallizes with an asymmetric unit comprising a divalent CdII atom, a benzene‐1,4‐diacetate (PBEA2−) ligand and a complete 1,4‐bis(1,2,4‐triazol‐1‐yl)butane (BTB) ligand. [Cd(PBEA)]n double chains, arranged parallel to the c axis, are formed through an exo‐tridentate binding mode of the PBEA2− ligands. These [Cd(PBEA)]n double chains are pillared by tethering BTB ligands, in which the BTB shows a transtranstrans conformation, to establish [Cd(PBEA)(BTB)]n two‐dimensional coordination polymer (4,4)‐layer slab patterns. The three‐dimensional supramolecular architecture is formed by C—H...O hydrogen bonds and C—H...π interactions.  相似文献   

11.
In the title compound, [In(C8H4O4)(OH)(H2O)]n, the coordination of the InIII ion is composed of six O atoms from three dianionic benzene‐1,2‐dicarboxylate ligands, two hydroxyl groups and one coordinated water mol­ecule in a distorted octa­hedral geometry. The In3+ ions are linked by the hydroxyl groups to form zigzag In–OH–In chains, which are further bridged by the benzene‐1,2‐dicarboxylic acid ligands to generate a two‐dimensional layered structure featuring three types of rings (six‐, 14‐ and 20‐membered). Hydrogen bonds between the water mol­ecule and a carboxyl­ate O atom, and between the hydroxyl group and a carboxyl­ate O atom, are observed within the layers. In the crystal packing, there are π–­π stacking inter­actions between the benzene rings of adjacent layers, with a centroid‐to‐centroid distance of 3.668 (3) Å and a dihedral angle of 4.8 (2)°.  相似文献   

12.
The novel mercury‐tellurium cluster [Hg8(μ‐n‐C3H7Te)122‐Br)Br3] is formed during the reaction of HgBr2 and (n‐C3H7Te)2Hg in DMSO. Its crystal structure has been elucidated showing [Hg8(μ‐n‐C3H7Te)122‐Br)]3+ units with a bromine‐centered distorted Hg8 cube. The mercury atoms are bridged by n‐C3H7Te ligands and the resulting clusters are linked to a three‐dimensional network by bromine atoms. The close packing of the cluster is mainly determined by the flexible n‐propyl residues of the telluride building blocks.  相似文献   

13.
Two coordination polymers based on 1, 6‐bis(2‐methyl‐imidazole‐1‐yl)‐hexane (bimh), namely {[Zn3(BTC)2(bimh)] · (bimh)}n ( 1 ) and {[Zn(IPA)(bimh)] · (CH3CH2OH)0.5}n ( 2 ) (H3BTC = trimesic acid, H2IPA = isophthalic acid), were synthesized through hydrothermal reactions. In compound 1 , the zinc(II) ions are bridged by BTC3– ligands to form an undulating infinite two‐dimensional (2D) polymeric network. The 3D networks of 1 show a twofold interpenetrating net. In compound 2 , zinc(II) ions are bridged by IPA2– ligands to form one‐dimensional (1D) helical structures. The 2D structures of 2 are further assembled into 3D networks through aromatic π–π stacking interactions. Both compounds exhibit strong photoluminescence at room temperature and may be good candidates for potential luminescence materials.  相似文献   

14.
Synthesis, Crystal Structures, and Vibrational Spectra of [Pt(N3)6]2– and [Pt(N3)Cl5]2–, 195Pt and 15N NMR Spectra of [Pt(N3)nCl6–n]2– and [Pt(15NN2)n(N215N)6–n]2–, n = 0–6 By ligand exchange of [PtCl6]2– with sodium azide mixed complexes of the series [Pt(N3)nCl6–n]2– and with 15N‐labelled sodium azide (Na15NN2) mixtures of the isotopomeres [Pt(15NN2)n(N215N)6–n]2–, n = 0–6 and the pair [Pt(15NN2)Cl5]2–/[Pt(N215N)Cl5]2– are formed. X‐ray structure determinations on single crystals of (Ph4P)2[Pt(N3)6] ( 1 ) (triclinic, space group P1, a = 10.175(1), b = 10.516(1), c = 12.380(2) Å, α = 87.822(9), β = 73.822(9), γ = 67.987(8)°, Z = 1) and (Ph4As)2[Pt(N3)Cl5] · HCON(CH3)2 ( 2 ) (triclinic, space group P1, a = 10.068(2), b = 11.001(2), c = 23.658(5) Å, α = 101.196(14), β = 93.977(15), γ = 101.484(13)°, Z = 2) have been performed. The bond lengths are Pt–N = 2.088 ( 1 ), 2.105 ( 2 ) and Pt–Cl = 2.318 Å ( 2 ). The approximate linear azido ligands with Nα–Nβ–Nγ‐angles = 173.5–174.6° are bonded with Pt–Nα–Nβ‐angles = 116.4–121.0°. In the vibrational spectra the PtCl stretching vibrations of (n‐Bu4N)2[Pt(N3)Cl5] are observed at 318–345, the PtN stretching modes of (n‐Bu4N)2[Pt(N3)6] at 401–428 and of (n‐Bu4N)2[Pt(N3)Cl5] at 408–413 cm–1. The mixtures (n‐Bu4N)2[Pt(15NN2)n(N215N)6–n], n = 0–6 and (n‐Bu4N)2[Pt(15NN2)Cl5]/(n‐Bu4N)2[Pt(N215N)Cl5] exhibit 15N‐isotopic shifts up to 20 cm–1. Based on the molecular parameters of the X‐ray determinations the vibrational spectra are assigned by normal coordinate analysis. The average valence force constants are fd(PtCl) = 1.93, fd(PtNα) = 2.38 and fd(NαNβ, NβNγ) = 12.39 mdyn/Å. In the 195Pt NMR spectrum of [Pt(N3)nCl6–n]2–, n = 0–6 downfield shifts with the increasing number of azido ligands are observed in the range 4766–5067 ppm. The 15N NMR spectrum of (n‐Bu4N)2[Pt(15NN2)n(N215N)6–n], n = 0–6 exhibits by 15N–195Pt coupling a pseudotriplett at –307.5 ppm. Due to the isotopomeres n = 0–5 for terminal 15N six well‐resolved signals with distances of 0.03 ppm are observed in the low field region at –201 to –199 ppm.  相似文献   

15.
In the ternary title compound, catena‐poly­[[silver(I)‐μ‐ethylenedi­amine‐κ2N:N′] 3‐nitro­benzoate monohydrate], {[Ag(C2H8N2)](C7H4NO4)·H2O}n, the Ag atom is bicoordinated in a linear configuration by two different N atoms from two symmetry‐related ethyl­enedi­amine ligands, thus giving linear polymeric chains with an [–Ag—N—C—C—N–]n backbone running parallel to the a axis. In the crystal packing, these linear chains are interconnected by N—H⃛O and O—H⃛O hydrogen bonds to form layers parallel to the ab plane.  相似文献   

16.
The preformed nickel(II) complex of the 14‐membered macrocyclic ligand 1,4,8,11‐tetraazacyclotetradecane (cyclam, L), when treated with 4,4′‐(dimethylsilanediyl)diphthalic acid (H4A) in a DMF/H2O mixture (4:1 v/v) under heating, leads to [Ni(L)]3(HA)2·3DMF ( I·DMF ). Redissolution of this compound in a DMF/H2O/MeOH mixture (4:1:30 v/v/v) with mild acidification under gentle heating results in the formation of a similar compound but containing water and methanol molecules of crystallization, [Ni(L)]3(HA)2·5H2O·2MeOH ( II·H2O ). At lower temperature and concentration of reactants and longer reaction time, single crystals of composition {[{Ni(L)}3(HA)2]·4CH3OH}n ( II·MeOH ) were isolated. Single‐crystal X‐ray diffraction analysis of this compound, which, according to PXRD is isostructural with II·H2O but different from I·DMF , revealed its two‐dimensional (2D) polymeric structure, i.e. poly[[bis{μ3‐4‐[(4‐carboxy‐3‐carboxylatophenyl)dimethylsilyl]benzene‐1,2‐dicarboxylato‐κ3O1:O2:O3′}tris(1,4,8,11‐tetraazacyclotetradecane‐κ4N)trinickel(II)] methanol tetrasolvate], {[Ni3(C18H13O8Si)2(C10H24N4)3]·4CH3OH}n. It is built up of the monoprotonated tricarboxylate HA3? ligand coordinated in a monodentate manner in the axial positions of two crystallographically independent NiII cations, one of which is located on a crystallographic inversion centre. Both metal ions adopt a slightly tetragonally elongated trans‐N4O2 octahedral geometry. The compound has a lamellar structure with polymeric layers oriented parallel to the (10) plane, which are in turn linked via hydrogen bonds involving protonated carboxylic acid groups of the ligand. Bulk compounds I·DMF and II·H2O were characterized by FT–IR and diffuse reflectance spectroscopy and thermogravimetry, which provide evidence of their structural differences.  相似文献   

17.
The two isomorphous lanthanide coordination polymers, {[Ln2(C6H4NO2)2(C8H4O4)(OH)2(H2O)]·H2O}n (Ln = Er and Tm), contain two crystallographically independent Ln ions which are both eight‐coordinated by O atoms, but with quite different coordination environments. In both crystal structures, adjacent Ln atoms are bridged by μ3‐OH groups and carboxylate groups of isonicotinate and benzene‐1,2‐dicarboxylate ligands, forming infinite chains in which the Er...Er and Tm...Tm distances are in the ranges 3.622 (3)–3.894 (4) and 3.599 (7)–3.873 (1) Å, respectively. Adjacent chains are further connected through hydrogen bonds and π–π interactions into a three‐dimensional supramolecular framework.  相似文献   

18.
Reaction between an aqueous ethanol solution of tin(II) chloride and that of 4‐propanoyl‐2,4‐dihydro‐5‐methyl‐2‐phenyl‐3 H‐pyrazol‐3‐one in the presence of O2 gave the compound cis‐dichlorobis(4‐propanoyl‐2,4‐dihydro‐5‐methyl‐2‐phenyl‐3 H‐pyrazol‐3‐onato) tin(IV) [(C26H26N4O4)SnCl2]. The compound has a six‐coordinated SnIV centre in a distorted octahedral configuration with two chloro ligands in cis position. The tin atom is also at a pseudo two‐fold axis of inversion for both the ligand anions and the two cis‐chloro ligands. The orange compound crystallizes in the triclinic space group P 1 with unit cell dimensions, a = 8.741(3) Å, b = 12.325(7) Å, c = 13.922(7) Å; α = 71.59(4), β = 79.39(3), γ = 75.18(4); Z = 2 and Dx = 1.575 g cm–3. The important bond distances in the chelate ring are Sn–O [2.041 to 2.103 Å], Sn–Cl [2.347 to 2.351 Å], C–O [1.261 to 1.289 Å] and C–C [1.401 Å] the bond angles are O–Sn–O 82.6 to 87.7° and Cl–Sn–Cl 97.59°. The UV, IR, 1H NMR and 119Sn Mössbauer spectral data of the compound are reported and discussed.  相似文献   

19.
In order to explore the chemistry of the bidentate ligand 2,2‐dimethylpropane‐1,3‐diyl diisocyanide and to investigate the effect of counter‐ions on the polymeric structure of (2,2‐dimethylpropane‐1,3‐diyl diisocyanide)silver(I) complexes, the title polymeric compound, [AgI(C7H10N2)]n, was synthesized by treatment of 2,2‐dimethylpropane‐1,3‐diyl diisocyanide with AgI. X‐ray powder diffraction studies show, as expected, a polymeric structure, similar to the very recently reported Cl and NO3 analogues [AgX(C7H10N2)]n (X = Cl or NO3). In the title structure, the AgI centre is bridged to two adjacent AgI neighbours by bidentate 2,2‐dimethylpropane‐1,3‐diyl diisocyanide ligands via the NC groups to form [Ag{CNCH2C(CH3)2CH2NC}]n chains. The iodide counter‐ions crosslink the AgI centres of the chains to form a two‐dimensional polymeric {[Ag{CNCH2C(CH3)2CH2NC}]I}n network. This study also shows that this bidentate ligand forms similar polymeric structures on treatment with AgX, regardless of the nature of the counter‐ion X, and also has a strong tendency to form polymeric complexes rather than dimeric or trimeric ones.  相似文献   

20.
The title compound, [Eu(C9H9O4)3]n or [Eu(2,3‐DMOBA)3]n, where 2,3‐DMOBA is 2,3‐di­methoxy­benzoate, is an infinite one‐dimensional non‐centrosymmetric coordination polymer. The unique EuIII atom is bridged by six carboxyl­ate ligands; it is ennea‐coordinated and has a distorted tricapped trigonal prism geometry. The Eu—O distances are in the range 2.315 (3)–2.959 (5) Å.  相似文献   

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