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1.
Yunyun Yang Wenxiang Chai Li Song Jian Lin 《Acta Crystallographica. Section C, Structural Chemistry》2011,67(9):m293-m296
The title dinuclear complex, (aqua‐1κO)tetrakis(μ‐2,3‐diphenylprop‐2‐enoato‐1:2κ2O:O′)bis(2,3‐diphenylprop‐2‐enoato)‐1κO;2κO‐(ethanol‐2κO)bis(1,10‐phenanthroline)‐1κ2N,N′;2κ2N,N′‐dilanthanum(III), [La2(C15H11O2)6(C12H8N2)2(C2H5OH)(H2O)], contains two similar LaIII centres with distorted [LaO6N2] bicapped triganol–prismatic coordination polyhedra formed by six phenylcinnamate (PCA− or 2,3‐diphenylprop‐2‐enoate) ligands, two 1,10‐phenanthroline (phen) ligands, a coordinating ethanol molecule and a coordinating water molecule. The two metal centres are bridged by four μ‐PCA− ligands, with the remaining two PCA− ligands coordinated in a monodentate fashion. The noncoordinated carboxylate O atoms on the terminal PCA− ligands form O—H...O hydrogen bonds with the coordinated solvent molecules. Each La centre is also coordinated by a bidentate phen ligand. The PCA− ligands all adopt syn–syn orientations, with the two phenyl rings presenting dihedral angles of about 70°. The compound displays photochromic behaviour both in solution and in the solid state. 相似文献
2.
Hai‐Rong Wang Chao‐Hui Xia Guo‐Ting Li 《Acta Crystallographica. Section C, Structural Chemistry》2012,68(11):m303-m305
In the title compound, {[Tb(C12H8NO2)3(H2O)2]·H2O}n, the TbIII cation is in an eight‐coordinate environment, ligated by six carboxylate O atoms from five 3‐(pyridin‐4‐yl)benzoate (L) ligands and by two O atoms from water molecules. The cations are bridged by the carboxylate O atoms of the L ligands to form a two‐stranded polymeric chain which is assembled into a three‐dimensional supramolecular network through regular interchain O—H...N hydrogen bonding. On excitation at 320 nm, the title compound displays a series of emissions, which were assigned to the characteristic electronic transitions of TbIII. 相似文献
3.
Modular Molecules: Site‐Selective Metal Substitution,Photoreduction, and Chirality in Polyoxometalate Hybrids
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Michele Vonci Fateme Akhlaghi Bagherjeri Peter D. Hall Dr. Robert W. Gable Athanasios Zavras Prof. Richard A. J. O'Hair Yuping Liu Dr. Jie Zhang Dr. Matthew R. Field Dr. Matthew B. Taylor Prof. Johan Du Plessis Prof. Gary Bryant Prof. Mark Riley Dr. Lorenzo Sorace Pablo A. Aparicio Dr. Xavier López Prof. Josep M. Poblet Dr. Chris Ritchie Dr. Colette Boskovic 《Chemistry (Weinheim an der Bergstrasse, Germany)》2014,20(43):14102-14111
The first members of a promising new family of hybrid amino acid–polyoxometalates have emerged from a search for modular functional molecules. Incorporation of glycine (Gly) or norleucine (Nle) ligands into an yttrium‐tungstoarsenate structural backbone, followed by crystallization with p‐methylbenzylammonium (p‐MeBzNH3+) cations, affords (p‐MeBzNH3)6K2(GlyH)[AsIII4(YIIIWVI3)WVI44YIII4O159(Gly)8‐ (H2O)14] ? 47 H2O ( 1 ) and enantiomorphs (p‐MeBzNH3)15(NleH)3 [AsIII4(MoV2MoVI2)WVI44YIII4O160(Nle)9(H2O)11][AsIII4(MoVI2WVI2)‐ WVI44YIII4O160(Nle)9(H2O)11] (generically designated 2 : L ‐Nle, 2 a ; D ‐Nle, 2 b ). An intensive structural, spectroscopic, electrochemical, magnetochemical and theoretical investigation has allowed the elucidation of site‐selective metal substitution and photoreduction of the tetranuclear core of the hybrid polyanions. In the solid state, markedly different crystal packing is evident for the compounds, which indicates the role of noncovalent interactions involving the amino acid ligands. In solution, mass spectrometric and small‐angle X‐ray scattering studies confirm maintenance of the structure of the polyanions of 2 , while circular dichroism demonstrates that the chirality is also maintained. The combination of all of these features in a single modular family emphasizes the potential of such hybrid polyoxometalates to provide nanoscale molecular materials with tunable properties. 相似文献
4.
Hybrid Coordination Networks Constructed from ɛ‐Keggin‐Type Polyoxometalates and Rigid Imidazole‐Based Bridging Ligands as New Carriers for Noble‐Metal Catalysts
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Xiao‐Jian Yang Dr. Meng Sun Prof. Hong‐Ying Zang Dr. Yuan‐Yuan Ma Dr. Xiao‐Jia Feng Dr. Hua‐Qiao Tan Dr. Yong‐Hui Wang Prof. Yang‐Guang Li 《化学:亚洲杂志》2016,11(6):858-867
Three hybrid coordination networks that were constructed from ?‐Keggin polyoxometalate building units and imidazole‐based bridging ligands were prepared under hydrothermal conditions, that is, H[(Hbimb)2(bimb){Zn4PMoV8MoVI4O40}] ? 6 H2O ( 1 ), [Zn(Hbimbp)(bimbp)3{Zn4PMoV8MoVI4O40}] ? DMF ? 3.5 H2O ( 2 ), and H[Zn2(timb)2(bimba)2Cl2{Zn4PMoV8MoVI4O40}] ? 7 H2O ( 3 ) (bimb=1,4‐bis(1‐imidazolyl)benzene, bimbp=4,4′‐bis(imidazolyl)biphenyl, timb=1,3,5‐tris(1‐imidazolyl)benzene, bimba=3,5‐bis(1‐imidazolyl)benzenamine). All three compounds were characterized by elemental analysis, IR spectroscopy, thermogravimetric analysis, and single‐crystal X‐ray diffraction. The mixed valence of the Mo centers was analyzed by XPS spectroscopy and bond‐valence sum calculations. In all three compounds, the ?‐Keggin polyoxometalate (POM) units acted as nodes that were connected by rigid imidazole‐based bridging ligands to form hybrid coordination networks. In compound 1 , 1D zigzag chains extended to form a 3D supramolecular architecture through intermolecular hydrogen‐bonding interactions. Compound 2 consisted of 2D curved sheets, whilst compound 3 contained chiral 2D networks. Because of the intrinsic reducing properties of ?‐Keggin POM species, noble‐metal nanoparticles were loaded onto these POM‐based coordination networks. Thus, compounds 1 – 3 were successfully loaded with Ag nanoparticles, and the corresponding composite materials exhibited high catalytic activities for the reduction of 4‐nitrophenol. 相似文献
5.
Three Ternary Rare Earth(III) Complexes Based on 3‐[(4,6‐Dimethyl‐2‐pyrimidinyl)thio]‐propanoic Acid and 1,10‐Phenanthroline: Synthesis,Crystal Structure and Antioxidant Activity
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Three ternary rare earth [NdIII ( 1 ), SmIII ( 2 ) and YIII ( 3 )] complexes based on 3‐[(4,6‐dimethyl‐2‐pyrimidinyl)thio]‐propanoic acid (HL) and 1,10‐phenanthroline (Phen) were synthesized and characterized by IR and UV/Vis spectroscopy, TGA, and single‐crystal X‐ray diffraction. The crystal structures showed that complexes 1 – 3 contain dinuclear rare earth units bridged by four propionate groups and are of general formula [REL3(Phen)]2 · nH2O (for 1 and 2 : n = 2; for 3 : n = 0). All rare earth ions are nine‐coordinate with distorted mono‐capped square antiprismatic coordination polyhedra. Complex 1 crystallizes in the monoclinic system, space group P21/c with a = 16.241(7) Å, b = 16.095(7) Å, c = 19.169(6) Å, β = 121.48(2)°. Complex 2 crystallizes in the monoclinic system, space group P21/c with a = 16.187(5) Å, b = 16.045(4) Å, c = 19.001(4) Å, β = 120.956(18)°. Complex 3 crystallizes in the triclinic system, space group P1 with a = 11.390(6) Å, b = 13.636(6) Å, c = 15.958(7) Å, α = 72.310(17)°, β = 77.548(15)°, γ = 78.288(16)°. The antioxidant activity test shows that all complexes own higher antioxidant activity than free ligands. 相似文献
6.
Chao Qin Xin‐Long Wang En‐Bo Wang 《Acta Crystallographica. Section C, Structural Chemistry》2008,64(2):m73-m75
In the title compound, [Cd(C2O4)(C12H8N2)(C9H6O6)]·C6H5N3·H2O, the CdII atom has a distorted pentagonal–bipyramidal geometry, defined by two N atoms and five O atoms from bidentate 1,10‐phenanthroline ligands, oxalate ligands and benzene‐1,3,5‐tricarboxylic acid ligands. The oxalate ligands in the asymmetric unit possess inversion symmetry. The triazole molecule is not coordinated to the Cd atom. The structure of the title compound features a one‐dimensional chain running along the crystallographic a axis, and a three‐dimensional supramolecular network is formed via aromatic π–π interactions and hydrogen‐bonding interactions. 相似文献
7.
Three tripodal ligands H3L1–3 containing imidazole rings were synthesized by the reaction of 1,10‐phenanthroline‐5,6‐dione with 1,3,5‐tris[(3‐formylphenoxy)methyl]benzene, 1,3,5‐tris[(3‐formylphenoxy)methyl]‐2,4,6‐trimethylbenzene, and 2,2′,2"‐tris[(3‐formylphenoxy)ethyl]amine, respectively. Trinuclear RuII polypyridyl complexes [(bpy)6Ru3H3L1–3](PF6)6 were prepared by the condensation of Ru(bpy)2Cl2 · 2H2O with ligands H3L1–3. The pH effects on the UV/Vis absorption and fluorescence spectra of the three complexes were studied, and ground‐ and excited‐state ionization constants of the three complexes were derived. The three complexes act as “off‐on‐off” fluorescence pH switch through protonation and deprotonation of imidazole ring with a maximum on‐off ratio of 5 in buffer solution at room temperature. 相似文献
8.
《Acta Crystallographica. Section C, Structural Chemistry》2017,73(9):749-753
The CdII three‐dimensional coordination poly[[[μ4‐1,4‐bis(1,2,4‐triazol‐1‐yl)but‐2‐ene]bis(μ3‐5‐carboxybenzene‐1,3‐dicarboxylato)dicadmium(II)] dihydrate], {[Cd2(C9H4O6)2(C8H10N6)]·2H2O}n , (I), has been synthesized by the hydrothermal reaction of Cd(NO3)2·4H2O, benzene‐1,3,5‐tricarboxylic acid (1,3,5‐H3BTC) and 1,4‐bis(1,2,4‐triazol‐1‐yl)but‐2‐ene (1,4‐btbe). The IR spectrum suggests the presence of protonated carboxylic acid, deprotonated carboxylate and triazolyl groups. The purity of the bulk sample was confirmed by elemental analysis and X‐ray powder diffraction. Single‐crystal X‐ray diffraction analysis reveals that the CdII ions adopt a five‐coordinated distorted trigonal–bipyramidal geometry, coordinated by three O atoms from three different 1,3,5‐HBTC2− ligands and two N atoms from two different 1,4‐btbe ligands; the latter are situated on centres of inversion. The CdII centres are bridged by 1,3,5‐HBTC2− and 1,4‐btbe ligands into an overall three‐dimensional framework. When the CdII centres and the tetradentate 1,4‐btbe ligands are regarded as nodes, the three‐dimensional topology can be simplified as a binodal 4,6‐connected network. Thermogravimetric analysis confirms the presence of lattice water in (I). Photoluminescence studies imply that the emission of (I) may be ascribed to intraligand fluorescence. 相似文献
9.
Dharmalingam Sivanesan Hyung Min Kim Yoon Sungho 《Acta Crystallographica. Section C, Structural Chemistry》2013,69(6):584-587
The title complex, [Rh(C10H15)Cl(C14H12N2O4)]Cl·2C4H5NO3, has been synthesized by a substitution reaction of the precursor [bis(2,5‐dioxopyrrolidin‐1‐yl) 2,2′‐bipyridine‐4,4′‐dicarboxylate]chlorido(pentamethylcyclopentadienyl)rhodium(III) chloride with NaOCH3. The RhIII cation is located in an RhC5N2Cl eight‐coordinated environment. In the crystal, 1‐hydroxypyrrolidine‐2,5‐dione (NHS) solvent molecules form strong hydrogen bonds with the Cl− counter‐anions in the lattice and weak hydrogen bonds with the pentamethylcyclopentadienyl (Cp*) ligands. Hydrogen bonding between the Cp* ligands, the NHS solvent molecules and the Cl− counter‐anions form links in a V‐shaped chain of RhIII complex cations along the c axis. Weak hydrogen bonds between the dimethyl 2,2′‐bipyridine‐4,4′‐dicarboxylate ligands and the Cl− counter‐anions connect the components into a supramolecular three‐dimensional network. The synthetic route to the dimethyl 2,2′‐bipyridine‐4,4′‐dicarboxylate‐containing rhodium complex from the [bis(2,5‐dioxopyrrolidin‐1‐yl) 2,2′‐bipyridine‐4,4′‐dicarboxylate]rhodium(III) precursor may be applied to link Rh catalysts to the surface of electrodes. 相似文献
10.
Gernot Heckmann Ekaterina Gorbunowa‐Jonas Stefan Plank Rudolf Janoschek Matthias Westerhausen Ekkehard Fluck 《无机化学与普通化学杂志》2000,626(9):1974-1984
Protonation of 1,1,3,3,5,5‐Hexakis(dimethylamino)‐λ5‐[1,3,5]triphosphinine. Cyclotrimethylenetriphosphinic Acid. NMR Data, Crystal Structures, and Quantum Chemical Calculations Preparation of 1,1,3,3,5,5‐hexakis(dimethylamino)‐1,2‐dihydro‐3λ5,5λ5‐[1,3,5]triphosphininium‐tetrafluoroborate ( 3 ) und 1,1,3,3,5,5‐hexakis(dimethylamino)‐λ5‐[1,3,5]triphosphinanetriium‐tris(tetrafluoroborate) ( 4 ) from 1,1,3,3,5,5‐hexakis(dimethylamino)‐1λ5,3λ5,5λ5‐triphosphinine 1 and HBF4 · O(C2H5)2 are described. The structures of 3 und 4 are elucidated by n. m. r. and X‐ray structural analyses. By hydrolysis of 4 with conc. hydrochloric acid 1,3,5‐trioxo‐1λ5,3λ5,5λ5‐[1,3,5]triphosphinane‐1,3,5‐triol (cyclotrimethylene‐triphosphinic acid) ( 8 ) is formed. Neutralisation with NaOH yields its sodium salt 9 . 8 and 9 are characterized by their n. m. r. spectra. Quantum chemical calculations have been investigated for the compounds 1 ′– 4 ′ and the trianion 9 . The systems 1 ′– 4 ′ are distinguished from 1 – 4 by the size of the ligands at phosphorus which is reduced from N(CH3)2 to NH2, respectively. The aims of the calculations are to elucidate hybridisations and molecular structures, Lewis or resonance structures, electronic charge distributions and NMR chemical shifts. 相似文献
11.
《Acta Crystallographica. Section C, Structural Chemistry》2018,74(9):1053-1057
In recent years, coordination polymers constructed from multidentate carboxylate and pyridyl ligands have attracted much attention because these ligands can adopt a rich variety of coordination modes and thus lead to the formation of crystalline products with intriguing structures and interesting properties. A new coordination polymer, namely poly[[μ2‐1,6‐bis(pyridin‐3‐yl)‐1,3,5‐hexatriene‐κ2N:N′](μ3‐naphthalene‐1,4‐dicarboxylato‐κ4O1,O1′:O4:O4′)zinc(II)], [Zn(C12H6O4)(C16H14N2)]n, has been prepared by the self‐assembly of Zn(NO3)2·6H2O, naphthalene‐1,4‐dicarboxylic acid (1,4‐H2ndc) and 1,6‐bis(pyridin‐3‐yl)‐1,3,5‐hexatriene (3,3′‐bphte) under hydrothermal conditions. The title compound has been structurally characterized by IR spectroscopy, elemental analysis, powder X‐ray diffraction and single‐crystal X‐ray diffraction analysis. Each ZnII ion is six‐coordinated by four O atoms from three 1,4‐ndc2− ligands and by two N atoms from two 3,3′‐bphte ligands, forming a distorted octahedral ZnO4N2 coordination geometry. Pairs of ZnII ions are linked by 1,4‐ndc2− ligands, leading to the formation of a two‐dimensional square lattice ( sql ) layer extending in the ab plane. In the crystal, adjacent layers are further connected by 3,3′‐bphte bridges, generating a three‐dimensional architecture. From a topological viewpoint, if each dinuclear zinc unit is considered as a 6‐connected node and the 1,4‐ndc2− and 3,3′‐bphte ligands are regarded as linkers, the structure can be simplified as a unique three‐dimensional 6‐connected framework with the point symbol 446108. The thermal stability and solid‐state photoluminescence properties have also been investigated. 相似文献
12.
Qingxiang Lu Daqi Wang Suna Wang 《Acta Crystallographica. Section C, Structural Chemistry》2010,66(11):m351-m354
In the title compound, poly[[triaqua{μ4‐2‐[4,6‐bis(carboxymethylsulfanyl)‐1,3,5‐triazin‐2‐ylsulfanyl]acetato}{μ2‐2‐[4,6‐bis(carboxymethylsulfanyl)‐1,3,5‐triazin‐2‐ylsulfanyl]acetato}barium(II)] monohydrate], {[Ba(C9H8N3O6S3)2(H2O)3]·H2O}n, each BaII atom is nine‐coordinated by six O atoms from carboxylate groups of four different 2‐[4,6‐bis(carboxymethylsulfanyl)‐1,3,5‐triazin‐2‐ylsulfanyl]acetate ligands and three O atoms from water molecules. The triazine ligand is partially deprotonated, as verified by intermolecular hydrogen‐bonding parameters, and adopts μ2‐η1:η1 and μ4‐η1:η1:η2 coordination modes to connect the BaII centres, forming a novel double‐layered structure. Topological analysis indicates that the whole structure is a novel (4,6)‐connected net, considering the ligands and BaII centres as four‐ and six‐connected nodes, respectively. 相似文献
13.
Giulia Lavarda Daiki Shimizu Toms Torres Atsuhiro Osuka 《Angewandte Chemie (International ed. in English)》2020,59(8):3127-3130
Peripherally metalated porphyrinoids are promising functional π‐systems displaying characteristic optical, electronic, and catalytic properties. In this work, 5‐(2‐pyridyl)‐ and 5,10,15‐tri(2‐pyridyl)‐BIII‐subporphyrins were prepared and used to produce cyclometalated subporphyrins by reactions with [Cp*IrCl2]2, which proceeded through an efficient C?H activation to give the corresponding mono‐ and tri‐IrIII complexes, respectively. While the mono‐IrIII complex was obtained as a diastereomeric mixture, a C3‐symmetric tri‐IrIII complex with the three Cp*‐units all at the concave side was predominantly obtained in a high yield of 90 %, which displays weak NIR phosphorescence even at room temperature in degassed CH2Cl2, differently from the mono‐IrIII complexes. 相似文献
14.
Alexander J. Blake Vito Lippolis Tiziana Pivetta Gaetano Verani 《Acta Crystallographica. Section C, Structural Chemistry》2007,63(8):m364-m367
In the first title salt, [Cu(C12H8N2)2(C5H10N2Se)](ClO4)2, the CuII centre occupies a distorted trigonal–bipyramidal environment defined by four N donors from two 1,10‐phenanthroline (phen) ligands and by the Se donor of a 1,3‐dimethylimidazolidine‐2‐selone ligand, with the equatorial plane defined by the Se and by two N donors from different phen ligands and the axial sites occupied by the two remaining N donors, one from each phen ligand. The Cu—N distances span the range 1.980 (10)–2.114 (11) Å and the Cu—Se distance is 2.491 (3) Å. Intermolecular π–π contacts between imidazolidine rings and the central rings of phen ligands generate chains of cations. In the second salt, [Cu(C10H8N2)2(C3H6N2S)](ClO4)2, the CuII centre occupies a similar distorted trigonal–bipyramidal environment comprising four N donors from two 2,2′‐bipyridyl (bipy) ligands and an S donor from an imidazolidine‐2‐thione ligand. The equatorial plane is defined by the S donor and two N donors from different bipy ligands. The Cu—N distances span the range 1.984 (6)–2.069 (7) Å and the Cu—S distance is 2.366 (3) Å. Intermolecular π–π contacts between imidazolidine and pyridyl rings form chains of cations. A major difference between the two structures is due to the presence in the second complex of two N—H...O hydrogen bonds linking the imidazolidine N—H hydrogen‐bond donors to perchlorate O‐atom acceptors. 相似文献
15.
Iris de Krom Dr. Evgeny A. Pidko Dr. Martin Lutz Prof. Dr. Christian Müller 《Chemistry (Weinheim an der Bergstrasse, Germany)》2013,19(23):7523-7531
RhIII and IrIII complexes based on the λ3‐P,N hybrid ligand 2‐(2′‐pyridyl)‐4,6‐diphenylphosphinine ( 1 ) react selectively at the P?C double bond to chiral coordination compounds of the type [( 1 H ? OH)Cp*MCl]Cl ( 2 , 3 ), which can be deprotonated with triethylamine to eliminate HCl. By using different bases, the pKa value of the P? OH group could be estimated. Whereas [( 1 H ? O)Cp*IrCl] ( 4 ) is formed quantitatively upon treatment with NEt3, the corresponding rhodium compound [( 1 H ? O)Cp*RhCl] ( 5 ) undergoes tautomerization upon formation of the λ5σ4‐phosphinine rhodium(III) complex [( 1? OH)Cp*RhCl] ( 6 ) as confirmed by single‐crystal X‐ray diffraction. Blocking the acidic P? OH functionality in 3 by introducing a P? OCH3 substituent leads directly to the λ5σ4‐phosphinine iridium(III) complex ( 8 ) upon elimination of HCl. These new transformations in the coordination environment of RhIII and IrIII provide an easy and general access to new transition‐metal complexes containing λ5σ4‐phosphinine ligands. 相似文献
16.
Xia Li Zhuo‐Yong Zhang Dao‐Yong Wang Hai‐Bin Song Ying‐Quan Zou 《Acta Crystallographica. Section C, Structural Chemistry》2005,61(2):m81-m83
The title compound, [Dy2(C8H7O2)6(C12H8N2)2], forms binuclear complexes, viz. di‐μ‐4‐methylbenzoato‐κ4O:O′‐bis[bis(4‐methylbenzoato‐κ2O,O′)(1,10‐phenanthroline‐κ2N,N′)dysprosium(III)] tetra‐μ‐4‐methylbenzoato‐κ8O:O′‐bis[(4‐methylbenzoato‐κ2O,O′)(1,10‐phenanthroline‐κ2N,N′)dysprosium(III)]. There are two independent binuclear complexes in the asymmetric unit, both of which are centrosymmetric. In one, the DyIII ions are linked by two bridging 4‐methylbenzoate groups, while in the other, the DyIII ions are linked by four bridging 4‐methylbenzoate groups. The remaining 4‐methylbenzoate groups and 1,10‐phenanthroline units coordinate to just one metal ion in bidentate modes. 相似文献
17.
Hong‐Jie Fan Qian‐Qian Xu Tie‐Zhen Ren Xiang‐Ying Xing Kirsten E. Christensen 《Acta Crystallographica. Section C, Structural Chemistry》2014,70(5):502-507
Two novel polymers exhibiting metal–organic frameworks (MOFs) have been synthesized by the combination of a metal ion with a benzene‐1,3,5‐tricarboxylate ligand (BTC) and 1,10‐phenanthroline (phen) under hydrothermal conditions. The first compound, poly[[(μ4‐benzene‐1,3,5‐tricarboxylato‐κ4O:O′:O′′:O′′′)(μ‐hydroxido‐κ2O:O)bis(1,10‐phenanthroline‐κ2N,N′)dizinc(II)] 0.32‐hydrate], {[Zn2(C9H3O6)(OH)(C12H8N2)2]·0.32H2O}n, denoted Zn–MOF, forms a two‐dimensional network in which a binuclear Zn2 cluster serves as a 3‐connecting node; the BTC trianion also acts as a 3‐connecting centre. The overall topology is that of a 63 net. The phen ligands serve as appendages to the network and interdigitate with phen ligands belonging to adjacent parallel sheets. The second compound, poly[[(μ6‐benzene‐1,3,5‐tricarboxylato‐κ7O1,O1′:O1:O3:O3′:O5:O5′)(μ3‐hydroxido‐κ2O:O:O)(1,10‐phenanthroline‐κ2N,N′)dimanganese(II)] 1.26‐hydrate], {[Mn2(C9H3O6)(OH)(C12H8N2)]·1.26H2O}n, denoted Mn–MOF, exists as a three‐dimensional network in which an Mn4 cluster serves as a 6‐connecting unit, while the BTC trianion again plays the role of a 3‐connecting centre. The overall topology is that of the rutile net. Phen ligands act as appendages to the network and form the `S‐shaped' packing mode. 相似文献
18.
Yu‐Xiu Jin Fang Yang Li‐Min Yuan Chao‐Guo Yan Wen‐Long Liu 《Acta Crystallographica. Section C, Structural Chemistry》2014,70(5):517-521
In poly[[μ3‐2,2′‐(disulfanediyl)dibenzoato‐κ5O:O,O′:O′′,O′′′](1,10‐phenanthroline‐κ2N,N′)cadmium(II)], [Cd(C14H8O4S2)(C12H8N2)]n, the asymmetric unit contains one CdII cation, one 2,2′‐(disulfanediyl)dibenzoate anion (denoted dtdb2−) and one 1,10‐phenanthroline ligand (denoted phen). Each CdII centre is seven‐coordinated by five O atoms of bridging/chelating carboxylate groups from three dtdb2− ligands and by two N atoms from one phen ligand, forming a distorted pentagonal–bipyramidal geometry. The CdII cations are bridged by dtdb2− anions to give a two‐dimensional (4,4) layer. The layers are stacked to generate a three‐dimensional supramolecular architecture via a combination of aromatic C—H...π and π–π interactions. The thermogravimetric and luminescence properties of this compound were also investigated. 相似文献
19.
Ligand π‐Radical Interaction with f‐Shell Unpaired Electrons in Phthalocyaninato–Lanthanoid Single‐Molecule Magnets: A Solution NMR Spectroscopic and DFT Study
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Marko Damjanović Takaumi Morita Prof. Keiichi Katoh Prof. Masahiro Yamashita Prof. Markus Enders 《Chemistry (Weinheim an der Bergstrasse, Germany)》2015,21(41):14421-14432
The phthalocyaninato double‐decker complexes [M(obPc)2]0 (M= YIII, TbIII, DyIII; obPc=2,3,9,10,16,17,23,24‐octabutoxyphthalocyaninato), along with their reduced ([M(obPc)2]?[P(Ph)4]+; M=TbIII, DyIII) and oxidized ([M(obPc)2]+[SbCl6]? (M=YIII, TbIII) counterparts were studied with 1H, 13C and 2D NMR. From the NMR data of the neutral (i.e., with one unpaired electron in the ligands) and anionic TbIII complexes, along with the use of dispersion corrected DFT methods, it was possible to separate the metal‐centered and ligand‐centered contributions to the hyperfine NMR shift. These contributions to the 1H and 13C hyperfine NMR shifts were further analyzed in terms of pseudocontact and Fermi contact shifts. Furthermore, from a combination of NMR data and DFT calculations, we have determined the spin multiplicity of the neutral complexes [M(obPc)2]0 (M=TbIII and DyIII) at room temperature. From the NMR data of the cationic TbIII complex, for which actually no experimental structure determination is available, we have analyzed the structural changes induced by oxidation from its neutral/anionic species and shown that the interligand distance decreases upon oxidation. The fast electron exchange process between the neutral and anionic TbIII double‐decker complexes was also studied. 相似文献
20.
Palladium(II) Complexes of 1,1,3,3,5,5‐Hexakis(dimethylamino)‐λ5‐[1,3,5]triphosphinine 1,1,3,3,5,5‐Hexakis(dimethylamino)‐1λ5‐3λ5‐5λ5‐[1,3,5]triphosphinine ( 5 ) reacts with (benzonitrile)2PdCl2 to give the chelate complex dichloro(dodeca‐N‐methyl‐1λ5,3λ5,5λ5‐1,3,5‐triphosphinine‐1,1,3,3,5,5‐hexaamin‐C2,C4)palladium ( 6 ). In a pyridine‐d5 solution of 6 the complex dichloro(dodeca‐N‐methyl‐1λ5,3λ5,5λ5‐1,3,5‐triphosphinine‐1,1,3,3,5,5‐hexaamin‐C2)((2H5)pyridine‐N)palladium ( 7 ) is formed. The solute 7 could not be isolated as a solid, because elimination of the solvent regenerates 6 quantitatively. Properties, nmr and ir spectra of 6 and 7 are reported. 6 is characterized by the results of an X‐ray structural analysis. 相似文献