共查询到20条相似文献,搜索用时 31 毫秒
1.
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
2.
Alexander J. Blake Lorenzo Tei Claire Wilson Martin Schrder 《Acta Crystallographica. Section C, Structural Chemistry》2003,59(2):m43-m45
The asymmetric unit of {[4,7‐bis(2‐aminoethyl)‐1,4,7‐triazacyclononan‐1‐yl]acetato}zinc(II) triaqua{μ‐[4,7‐bis(2‐aminoethyl)‐1,4,7‐triazacyclononan‐1‐yl]acetato}lithium(I)zinc(II) chloride diperchlorate, [Zn(C12H26N5O2)][LiZn(C12H26N5O2)(H2O)3]Cl(ClO4)2, obtained from the reaction between the lithium salt of 4,7‐bis(2‐aminoethyl)‐1,4,7‐triazacyclononane‐1‐acetate and Zn(ClO4)2, contains two ZnII complexes in which each ZnII ion is six‐coordinated by five N‐atom donors and one O‐atom donor from the ligand. One carboxylate O‐atom donor is not involved in coordination to a ZnII atom, but coordinates to an Li+ ion, the tetrahedral geometry of Li+ being completed by three water molecules. The two complexes are linked via a hydrogen bond between a primary amine N—H group and the carboxylate‐O atom not involved in coordination to a metal. 相似文献
3.
Volker Gramlich Pemysl Lubal Stefano Musso Giorgio Anderegg 《Helvetica chimica acta》2001,84(3):623-631
Complex formation between N,N,N′,N′‐tetrakis(2‐aminoethyl)ethane‐1,2‐diamine (penten) and the metal ions Mn2+, Co2+, Cu2+, Zn2+, Cd2+, Hg2+, Ag+, Pb2+, and Tl3+ (in 1.00M NaNO3 and 25°) was investigated by potentiometry and spectrophotometry. These are the first reported values of the stability constants for this ligand with Ag+, Pb2+, and Tl3+. The X‐ray crystal structure of [Tl(NO3)(penten)](NO3)2 was determined. In this structure, Tl3+ shows a coordination number of seven made up of the six N‐donors and one O‐atom of NO. 相似文献
4.
Cengiz Arici Filiz Ercan Raif Kurtaran Orhan Atakol 《Acta Crystallographica. Section C, Structural Chemistry》2001,57(7):812-814
In the title compounds, {2,2′‐[2,2‐dimethyl‐1,3‐propanediylbis(nitrilomethylidyne)]diphenolato‐κ4N,N′,O,O′}nickel(II), [Ni(C19H20N2O2)], and {2,2′‐[2,2‐dimethyl‐1,3‐propanediylbis(nitrilomethylidyne)]diphenolato‐κ4N,N′,O,O′}copper(II), [Cu(C19H20N2O2)], the NiII and CuII atoms are coordinated by two iminic N and two phenolic O atoms of the N,N′‐bis(salicylidene)‐2,2‐dimethyl‐1,3‐propanediaminate (SALPD2?, C17H16N2O22?) ligand. The geometry of the coordination sphere is planar in the case of the NiII complex and distorted towards tetrahedral for the CuII complex. Both complexes have a cis configuration imposed by the chelate ligand. The dihedral angles between the N/Ni/O and N/Cu/O coordination planes are 17.20 (6) and 35.13 (7)°, respectively. 相似文献
5.
The title compound, [Cu2(C9H10NO3)2(NO3)2(C10H8N2)(H2O)2]n, contains CuII atoms and l ‐tyrosinate (l ‐tyr) and 4,4′‐bipyridine (4,4′‐bipy) ligands in a 2:2:1 ratio. Each Cu atom is coordinated by one amino N atom and two carboxylate O atoms from two l ‐tyr ligands, one N atom from a 4,4′‐bipy ligand, a monodentate nitrate ion and a water molecule in an elongated octahedral geometry. Adjacent Cu atoms are bridged by the bidentate carboxylate groups into a chain. These chains are further linked by the bridging 4,4′‐bipy ligands, forming an undulated chiral two‐dimensional sheet. O—H...O and N—H...O hydrogen bonds connect the sheets in the [100] direction. This study offers useful information for the engineering of chiral coordination polymers with amino acids and 4,4′‐bipy ligands by considering the ratios of the metal ion and organic components. 相似文献
6.
Fatma Karipcin Burcin Culu Saroj K. Sharma Kushal Qanungo 《Helvetica chimica acta》2012,95(4):647-659
The reaction of the ‘oximato’‐ligand precursor A (Fig. 1) and metal salts with KCN gave two mononuclear complexes [ML(CN)(H2O)n](ClO4) ( 1 and 2 ; L={N‐(hydroxy‐κO)‐α‐oxo‐N′‐[(pyridin‐2‐yl‐κN)methyl[1,1′‐biphenyl]‐4‐ethanimidamidato‐κN′}; M=CoII ( 1 ), CuII ( 2 ); n=2 for CoII, n=0 for CuII; Figs. 2 and 3). The new cyano‐bridged pentanuclear ‘oximato’ complexes [{ML(H2O)n(NC)}4M1(H2O)x](ClO4)2 ( 3 – 6 ) and trinuclear complexes [{ML(H2O)n(NC)}2M1L](ClO4) ( 7 – 10 ) ([M1=MnII, CuII; x=2 for MnII, x=0 for CuII] were synthesized from mononuclear complexes and characterized by elemental analyses, magnetic susceptibility, molar conductance, and IR and thermal analysis. The four [ML(CN)(H2O)n]+ moieties are connected by a metal(II) ion in the pentanuclear complexe 3 – 6 , each one involving four cyano bridging ligands (Fig. 4). The central metal ion displays a square‐planar or octahedral geometry, with the cyano bridging ligands forming the equatorial plane. The axial positions are occupied by two aqua ligands in the case of the central Mn‐atom. The two [ML(CN)(H2O)n]+ moieties and an ‘oximato’ ligand are connected by a metal(II) ion in the trinuclear complexes 7 – 10 , each one involving two cyano bridging ligands (Fig. 5). The central metal ions display a distorted square‐pyramidal geometry, with two cyano bridging ligands and the donor atoms of the tridentate ‘oximato’ ligand. Moreover catalytic activities of the complexes for the disproportionation of hydrogen peroxide (H2O2) were also investigated in the presence of 1H‐imidazole. The synthesized homopolynuclear CuII complexes 6 and 10 displayed eficiency in disproportion reactions of H2O2 producing H2O and dioxygen thus showing catalase‐like activity. 相似文献
7.
Coordination of Rhodium(III), Iridium(III), and Copper(II) with the Potentially Tetradentate Acceptor Ligand Bis(1‐methylimidazol‐2‐yl)glyoxal (big) Bis(1‐methylimidazol‐2‐yl)glyoxal (big) which has hitherto not been used in coordination chemistry crystallizes to form two perpendicular 1‐methylimidazol‐2‐yl‐carbonyl molecular halves. Out of the various possibilities for mono‐ and bis‐chelate coordination the N,N′‐alternative with a seven‐membered chelate ring is realized in [Cp*Cl(big)Rh](PF6) as evident from crystal structure analysis. The iridium analogue reacts under hydration of big and elimination of HCl to form a complex cation [Cp*(bigOH)Ir]+ which dimerizes in the crystal through hydrogen bonding and contains one five‐ and one six‐membered chelate ring involving the alcoholate‐O. Cu(ClO4)2 and the ligand big yield a complex ion [Cu(big)2]2+ with an ESR spectrum that suggests the coordination of the central metal by four N atoms in an approximately planar setting. 相似文献
8.
The title compound, [CuBr(C6H7NO)2]Br·H2O, is an ionic mononuclear complex in which the [CuBr(C6H7NO)2]+ cation possesses distorted square‐pyramidal geometry. The CuII centre is coordinated by two neutral 2‐(pyridin‐2‐yl)methanol (2‐pyMeOH) ligands and a terminal bromide ligand. The 2‐pyMeOH ligands are coordinated in a bidentate chelating manner through the pyridine N and hydroxy O atoms, forming a five‐membered chelate ring with the CuII centre. The planes of the pyridine rings are twisted by 58.71 (14)° with respect to each other. The charge is balanced by a noncoordinating bromide anion which, together with a solvent water molecule, links the components through hydrogen bonds into infinite chains propagating along the a axis. The mononuclear cations appear to associate in pairs through weak interactions between the metal atom of one cation and the halogen atom of an adjacent cation. 相似文献
9.
Ligia Gomes John Nicolson Low Mrio A. D. C. Valente Cristina Freire Baltazar Castro 《Acta Crystallographica. Section C, Structural Chemistry》2007,63(7):m293-m296
The title complex, [Cu(C12H9N2O)(C2H3O2)(C12H10N2O)], is a neutral CuII complex with a primary N3O2 coordination sphere. The Cu centre coordinates to both a deprotonated and a neutral molecule of N‐phenylpyridine‐2‐carboxamide and also to an acetate anion. The coordination around the metal centre is asymmetric, the deprotonated ligand providing two N donor atoms [Cu—N = 1.995 (2) and 2.013 (2) Å] and the neutral ligand providing one N and one O donor atom to the coordination environment [Cu—N = 2.042 (2) Å and Cu—O = 2.2557 (19) Å], the fifth donor being an O atom of the acetate ion [Cu—O = 1.9534 (19) Å]. The remaining O atom from the acetate ion can be considered as a weak donor atom [Cu—O = 2.789 (2) Å], conferring to the Cu complex an asymmetric octahedral geometry. The crystal structure is stabilized by intermolecular N—H...O, C—H...O and C—H...π interactions. 相似文献
10.
Nobuo Okabe Michihiro Tsujita 《Acta Crystallographica. Section C, Structural Chemistry》2000,56(12):1418-1419
In the title compound, [Li(C5H3N4O2)(H2O)2]n, the coordinate geometry about the Li+ ion is distorted tetrahedral and the Li+ ion is bonded to N and O atoms of adjacent ligand molecules forming an infinite polymeric chain with Li—O and Li—N bond lengths of 1.901 (5) and 2.043 (6) Å, respectively. Tetrahedral coordination at the Li+ ion is completed by two cis water molecules [Li—O 1.985 (6) and 1.946 (6) Å]. The crystal structure is stabilized both by the polymeric structure and by a hydrogen‐bond network involving N—H?O, O—H?O and O—H?N hydrogen bonds. 相似文献
11.
A novel coordination polymer, [Ag4ppdc)(H2bpdc)(Hbpdc)2] (bpdc = 2,2′‐bipyridyl‐3,3′‐dicarboxylate), was hydrothermally synthesized at 403 K and structurally characterized by single crystal X‐ray diffraction analysis. The compound crystalizes in the monoclinic space group C2/c with a=1.9516(4) nm, b=1.9503(4) nm. c=1.2566(3) nm, and β=112.48(3)°. In the two‐dimensional crystal structure, AgI center is coordinated, in a scarce coordination environment, double‐capped tetrahedron, by one bpdc ligand to form N‐Ag‐N chelate bond via two pyridyl N atoms, and other two bpdc ligands to form two O‐Ag‐O chelate bonds, respectively, via two carboxyl O atoms. The bpdc ligands are present in one non‐protonated form, bpdc, and two protonated forms, Hbpdc and H2bpdc, which all act as μ3‐ligand in a hexadentate fashion (N, N′; O, O′; O, O′) to coordinate with three Ag centers, respectively, through the three chelate bonds. This coordinated fashion of bpdc ligand is first found in the title compound. W‐Us‐NIR reflectance spectroscopy study revealed insulator nature for the crystal with an optical energy gap of 3.1 eV. 相似文献
12.
Jelena Rogan Dejan Poleti Ljiljana Karanovi 《Acta Crystallographica. Section C, Structural Chemistry》2011,67(7):m230-m233
The novel title coordination polymer, {[Cu(C8H4O4)(C10H9N3)]·H2O}n, synthesized by the slow‐diffusion method, takes the form of one‐dimensional zigzag chains built up of CuII cations linked by benzene‐1,3‐dicarboxylate (ipht) anions. An exceptional characteristic of this structure is that it belongs to a small group of metal–organic polymers where ipht is coordinated as a bridging tridentate ligand with monodentate and chelate coordination of individual carboxylate groups. The CuII cation has a highly distorted square‐pyramidal geometry formed by three O atoms from two ipht anions and two N atoms from a di‐2‐pyridylamine (dipya) ligand. The zigzag chains, which run along the b axis, further construct a three‐dimensional metal–organic framework via strong face‐to‐face π–π interactions and hydrogen bonds. A solvent water molecule is linked to the different carboxylate groups via hydrogen bonds. Thermogravimetric and differential scanning calorimetric analyses confirm the strong hydrogen bonding. 相似文献
13.
Agueda E. Ceniceros‐Gmez Angel Ramos‐Organillo Julio Hernndez‐Díaz Jonathan Nieto‐Martínez Rosalinda Contreras Silvia E. Castillo‐Blum 《Heteroatom Chemistry》2000,11(6):392-398
The coordination sites of 2,6‐bis(benzimidazol‐2′‐yl)pyridine ( 1 ) toward protons and the diamagnetic metal ions Li+, Na+, and Co3+ were investigated by NMR spectroscopy. Variable temperature 1H and 13C NMR experiments were performed on 1 in order to evaluate the tautomeric equilibrium and hydrogen bonding. Imidazole dicoordinated aromatic nitrogen atoms were protonated by trichloroacetic acid and the three N‐dicoordinated atoms by fuming H2SO4. Reactions of the ligand 1 and benzimidazole 2 with metallic sodium or LiH afforded anionic species; the alkali metal ions appeared solvated by THF, but not by the ligands 1 or 2 . In contrast, reaction of 1 with Co(III) produces the stable cation [Co( 1 ‐H)2]+ with cobalt ion coordinated by two molecules of the monodeprotonated ligand. © 2000 John Wiley & Sons, Inc. Heteroatom Chem 11:392–398, 2000 相似文献
14.
Elena Bugella‐Altamirano Josefa María Gonzlez‐Prez Duane Choquesillo‐Lazarte Juan Nicls‐Gutirrez Alfonso Castieiras‐Campos 《无机化学与普通化学杂志》2000,626(4):930-936
The stoichiometric reaction of copper(II) hydroxycarbonate, iminodiacetic acid (H2IDA = HN(CH2CO2H)2) and α‐picolinamide (pya) in water yields crystalline samples of (α‐picolinamide)(iminodiacetato)copper(II) dihydrate, [Cu(IDA)(pya)] · 2 H2O ( 1 ). The compound was characterised by thermal (TG analysis with FT‐IR study of the evolved gasses), spectral (IR, electronic and ESR spectra), magnetic and single crystal X‐ray diffraction methods. It crystallises in the triclinic system, space group P1, a = 8.8737(4), b = 10.23203(5), c = 15.7167(11) Å, α = 77.61(1)°, β = 103.89(1)°, γ = 80.32(1)°, Z = 4, final R1 = 0.056. The asymmetric unit contains two crystallographic independent molecules but chemically very similar ones. The CuII atom exhibits a square base pyramidal coordination (type 4 + 1). pya acts as N,O‐bidentate ligand supplying two among the four closest donor atoms of the metal [averaged bond distances (Å): Cu–N = 1.982(2), Cu–O(amide) = 1.972(2)]. IDA plays a N,O,O′‐terdentate chelating role [averaged bond distances (Å): Cu–N = 2.004(3), Cu–O = 1.941(2) and Cu–O = 2.242(2)]. The coordinating behaviour of pya in 1 is discussed on the basis of its N,O‐bidentate chelating role and the preference of the ‘Cu‐iminodiacetato' moiety [Cu(IDA)] to link the N‐heterocyclic donor of pya in trans versus the Cu–N(IDA) bond. Consistently the ligand pya is able to impose a fac‐chelating configuration to IDA one around the copper(II) as previously has been reported to mixed‐ligand complexes having a 1/1/2 CuII/IDA/N(heterocyclic) donor ratio or a closely related 1/1/1/1 CuII/IDA/N(heterocyclic)/N(aliphatic) one. 相似文献
15.
Two novel copper(I) complexes with Cu‐O bonds, [Cu2L2(PPh3)2](BF4)2 ( 1 ) and [Cu(L)(dppeo)](BF4) ( 2 ) ( L = 6‐(4‐diethylmethylphosphonatephenyl)‐2,2′‐bipyridine, dppeo = bis(diphenylphosphino)ethane monoxide), have been prepared and their structures characterized. In the binuclear complex 1 , the ligand L serves as tridentate donor with the N, N′ and O as coordination atoms, and the two CuI atoms are bridged through both P = O donor atoms in different ligand L with a triphenylphosphine molecule as auxiliary ligand. While in mononuclear complex 2 , both ligands L and dppeo behave as bidentate with N∧N from L and P∧O from dppeo chelating to CuI atom. 相似文献
16.
Olha Sereda Helen Stoeckli‐Evans 《Acta Crystallographica. Section C, Structural Chemistry》2008,64(6):m221-m223
The structure of the title compound, [NiCu(CN)4(C10H8N2)(H2O)2]n or [{Cu(H2O)2}(μ‐C10H8N2)(μ‐CN)2{Ni(CN)2}]n, was shown to be a metal–organic cyanide‐bridged framework, composed essentially of –Cu–4,4′‐bpy–Cu–4,4′‐bpy–Cu– chains (4,4′‐bpy is 4,4′‐bipyridine) linked by [Ni(CN)4]2− anions. Both metal atoms sit on special positions; the CuII atom occupies an inversion center, while the NiII atom of the cyanometallate sits on a twofold axis. The 4,4′‐bpy ligand is also situated about a center of symmetry, located at the center of the bridging C—C bond. The scientific impact of this structure lies in the unique manner in which the framework is built up. The arrangement of the –Cu–4,4′‐bpy–Cu–4,4′‐bpy–Cu– chains, which are mutually perpendicular and non‐intersecting, creates large channels running parallel to the c axis. Within these channels, the [Ni(CN)4]2− anions coordinate to successive CuII atoms, forming zigzag –Cu—N[triple‐bond]C—Ni—C[triple‐bond]N—Cu– chains. In this manner, a three‐dimensional framework structure is constructed. To the authors' knowledge, this arrangement has not been observed in any of the many copper(II)–4,4′‐bipyridine framework complexes synthesized to date. The coordination environment of the CuII atom is completed by two water molecules. The framework is further strengthened by O—H...N hydrogen bonds involving the water molecules and the symmetry‐equivalent nonbridging cyanide N atoms. 相似文献
17.
1,1′‐Bis(trimethylsilylamino)ferrocene ( 1 ) reacts with two equivalents of butyllithium to give the N,N′‐dilithiated amide ( 2 ) which has already served in the synthesis of various 1,n‐diaza‐(n)ferrocenophanes (n ≥ 3). Addition of pyridine affords the dipyridine adduct 3 which could be isolated and characterised in the solid state by X‐ray crystallography. An N2Li2 bridge is present in 3 , and each lithium atom bears one pyridine ligand. From multinuclear magnetic resonance studies (1H, 7Li, 13C, 29Si, 31P NMR) it appears that important features of the solid state structure of 3 are retained in solution, in particular in the presence of ether or HMPTA [O=P(NMe2)3], whereas the structure is likely to be different in the absence of donor ligands. The optimised gas phase structures [B3LYP/6‐311+G(d,p) level of theory] of the parent compound fc(NHLi‐NH3)2 corresponds closely to that of 3 , whereas that of fc(NHLi)2 reveals an unsymmetrical N2Li2 bridge with one of the lithium atoms in closer contact to the substituted carbon atoms (C1 and C1′) of the cyclopentadienyl rings. 相似文献
18.
Mahbod Morshedi Soraia Meghdadi Kurt J. Schenk 《Acta Crystallographica. Section C, Structural Chemistry》2006,62(3):m87-m89
The quinquedentate ligand 2,2′‐[1,1′‐(4‐azaheptane‐1,7‐diyldinitrilo)diethylidyne]diphenol in the title compound, [Cu(C22H27N3O2)], furnishes an N3O2 donor set, which results in a distorted square‐pyramidal coordination; the two O and two imine N atoms lie in the basal plane, while the secondary amine N atom of the ligand occupies the axial position. The axial Cu—N bond is 0.33 Å longer than the average of the equatorial bonds, and the O atoms are trans. The symmetry of the molecule is lowered by the twist–boat and chair conformations adopted by the two CuNN chelate rings. The complex contains two intramolecular C—H⋯O interactions, and two molecules of the complex are linked into a dimer by means of moderate N—H⋯O hydrogen bonds. Spectroscopic evidence supports the presence of hydrogen bonds. 相似文献
19.
Hua Yin 《Acta Crystallographica. Section C, Structural Chemistry》2008,64(10):m324-m326
In the title centrosymmetric binuclear complex, [Cu2(C14H11N2O3)2(H2O)2](NO3)2, the two metal centres are bridged by the phenolate O atoms of the ligand, forming a Cu2O2 quadrangle. Each Cu atom has a distorted square‐pyramidal geometry, with the basal donor atoms coming from the O,N,O′‐tridentate ligand and a symmetry‐related phenolate O atom. The more weakly bound apical donor O atom is supplied by a coordinated water molecule. When a further weak Cu...O interaction with the 4‐hydroxy O atom of a neighbouring cation is considered, the extended coordination sphere of the Cu atom can be described as distorted octahedral. This interaction leads to two‐dimensional layers, which extend parallel to the (100) direction. The two‐dimensional polymeric structure contrasts with other reported structures involving salicylaldehyde benzoylhydrazone ligands, which are usually discrete mono‐ or dinuclear Cu complexes. The nitrate anions are involved in a three‐dimensional hydrogen‐bonding network, featuring intermolecular N—H...O and O—H...O hydrogen bonds. 相似文献
20.
Copper(II) and Sodium(I) Complexes based on 3,7‐Diacetyl‐1,3,7‐triaza‐5‐phosphabicyclo[3.3.1]nonane‐5‐oxide: Synthesis,Characterization, and Catalytic Activity
下载免费PDF全文
![点击此处可从《化学:亚洲杂志》网站下载免费的PDF全文](/ch/ext_images/free.gif)
《化学:亚洲杂志》2018,13(19):2868-2880
The reaction of 3,7‐diacetyl‐1,3,7‐triaza‐5‐phosphabicyclo[3.3.1]nonane (DAPTA) with metal salts of CuII or NaI/NiII under mild conditions led to the oxidized phosphane derivative 3,7‐diacetyl‐1,3,7‐triaza‐5‐phosphabicyclo[3.3.1]nonane‐5‐oxide (DAPTA=O) and to the first examples of metal complexes based on the DAPTA=O ligand, that is, [CuII(μ‐CH3COO)2(κO‐DAPTA=O)]2 ( 1 ) and [Na(1κOO′;2κO‐DAPTA=O)(MeOH)]2(BPh4)2 ( 2 ). The catalytic activity of 1 was tested in the Henry reaction and for the aerobic 2,2,6,6‐tetramethylpiperidin‐1‐oxyl (TEMPO)‐mediated oxidation of benzyl alcohol. Compound 1 was also evaluated as a model system for the catechol oxidase enzyme by using 3,5‐di‐tert‐butylcatechol as the substrate. The kinetic data fitted the Michaelis–Menten equation and enabled the obtainment of a rate constant for the catalytic reaction; this rate constant is among the highest obtained for this substrate with the use of dinuclear CuII complexes. DFT calculations discarded a bridging mode binding type of the substrate and suggested a mixed‐valence CuII/CuI complex intermediate, in which the spin electron density is mostly concentrated at one of the Cu atoms and at the organic ligand. 相似文献