共查询到20条相似文献,搜索用时 31 毫秒
1.
Marco Bortoluzzi Dario Battistel Gabriele Albertin Salvatore Daniele Francesco Enrichi Riccardo Rumonato 《Chemical Papers》2016,70(1):43-52
1,10-Phenanthroline-5,6-dione (Phd) complexes of group 3 and lanthanide elements having formulae Ln(hfac)3(Phd) (Ln = Y, Eu, Yb; hfac = hexafluoroacetylacetonate) were synthesised and characterised. Complexes of d-block elements of the type [MCl(Phd)(p-cymene)]+ (M = Ru, Os) were also prepared. In all these species, coordination of the polydentate ligand occurs by the N-donor moieties, as indicated by DFT calculations. The novel compounds were tested, together with fac-ReBr(Phd)(CO)3, as precursors for the preparation of heterobimetallic d/f derivatives. The reaction of the rhenium complex with yttrium or lanthanide anhydrous triflate salts led to the formation of the complexes ReBr(CO)3(N,N′-Phd-O,O′)Ln(OTf)3(THF) (Ln = Y, Eu, Yb), where the trivalent ions interacted with the quinonoid moiety. The redox properties of the rhenium centre were strongly affected by the coordination of Ln(OTf)3, as observed by comparing the cyclic voltammetry measurements carried out on fac-ReBr(Phd)(CO)3 and on ReBr(CO)3(N,N′-Phd-O,O′)Y(OTf)3. 相似文献
2.
X. X. Liu Y. Q. Sun Y. Y. Xu D. Z. Gao 《Russian Journal of Coordination Chemistry》2011,37(5):362-366
Macrocyclic and supermolecular complexes [Cu2(NiL)2Cl4] (I) and [Cd2(CuL)2Cl4] (II) (H2L = 2,3-dioxo-5,6,14,15-dibenzo-1,4,8,12-tetraazacyclo-pentadeca-7,13-diene) have been synthesized and structurally determined by X-ray diffraction and IR spectrum. Complex I crystallizes in the monoclinic system with P21/n group, a = 10.9019(15), b = 14.3589(19), c = 12.4748(17) 0A, β = 108.645(2)°, Z = 4. Complex II crystallizes in the monoclinic system with P21/n group, a = 10.9784(16), b = 14.580(2), c = 12.8904(18) Å, β = 109.339(2)°, Z = 4. 相似文献
3.
The crystal structure of [Cu(En)2CrO4]n (En is ethylenediamine) is determined: a = 14.7359(4) Å, b = 9.8083(3) Å, c = 14.2664(4) Å, V = 2061.98(10) Å3, space group Cmce, Z = 8, dx = 1.931 g/cm3. It is demonstrated that the studied phase is isostructural with [Сu(Еn)2SO4]n. A pseudotetragonal copper atom coordination (Cu–N 2.0204 Å and 2.0244 Å, ∠N–Cu–N 84.73°) is completed to distorted octahedral by two oxygen atoms of chromate anions (Cu–O 2.433 Å and 2.380 Å). 相似文献
4.
Manjulata Sahu K. Krishnan Buddhadev Kanrar M. K. Saxena Smruti Dash 《Journal of Radioanalytical and Nuclear Chemistry》2017,312(3):487-494
The novel ligand N,N,N′′′′,N′′′′-tetrabutyl-N′′′,N′′′-(N″,N″-diethyl)-ethidene bisdiglycolamide (TBEE-BisDGA) and other eight analogous extractants have been synthesized and characterized by NMR and HRMS. The solvent extraction of Th4+, UO2 2+ and Eu3+ from nitric acid solution using the above BisDGA extractants was investigated in 1-dodecanol at 30 ± 1 °C. The extractants exhibited higher affinity toward Th4+ than UO2 2+ and Eu3+ in the present system. The maximum value of separation factor SF Th(IV)/U(VI) and SF Th(IV)/Eu(III) is 78.5 and 53.3 respectively for TBEE-BisDGA, 88.1 and 69.5 respectively in the case of TB i-PE-BisDGA at 3 M HNO3 solution. 相似文献
5.
B. V. Bukvetskii A. G. Mirochnik P. A. Zhikhareva V. E. Karasev 《Journal of Structural Chemistry》2010,51(6):1164-1169
By single crystal X-ray analysis, the atomic structure of the crystals of [Eu(NO3)3(HMPA)3] complex (HMPA is hexamethylphosphorotriamide) possessing intense triboluminescence is determined. Symmetry of centrosymmetrical crystals is monoclinic: a = 13.785(1) Å, b = 19.746(2) Å, c = 14.723(1) Å, β= 102.143(2)°, P21/n space group, Z = 4, d x = 1.484 g/cm3. The crystal structure is represented by separate C18H54EuN12O12P3 complexes linked by van der Waals interactions with pronounced cleavage planes. The coordination polyhedron of Eu(III) atom reflects the state of distorted square antiprism. The possible causes of spectral differences in the Stark structure of photo- and triboluminescence are discussed. 相似文献
6.
G. V. Bazuev T. I. Chupakhina M. A. Lelkozerova 《Russian Journal of General Chemistry》2008,78(10):1843-1848
Attempts of the synthesis in air of complex oxides Sr3RhMnOx and Sr4Rh1.5Mn1.5Ox resulted in revealing formation of a new oxide phase Sr6.3Rh2.35Mn2.35O9 related to quasi-unidimensional family A3n+3m A′ n B3m+n O9m+6n at n = 1 and m = 1. Its structural characteristics and magnetic properties are studied. X-ray data of the obtained phase is indicated on the basis of trigonal cell (spatial group P321) with the parameters: a 9.6239(4) Å; c 1 4.1130(4) Å, c 2 2.4946(2) Å. Manganese and rhodium exist in the compound as the cations Mn4+, Rh3+ and Rh4+, as follows from the data of measuring of magnetic susceptibility in the range 2–300 K. 相似文献
7.
Q. Y. Xia D. X. Ma D. J. Li B. H. Li X. Q. Wang G. F. Ji 《Journal of Structural Chemistry》2015,56(8):1468-1473
The structures and properties of asymmetric heterocycles (HBrBN3) n (n = 1-4) are systematically studied at the B3LYP/6-31G* level. The molecules (HBrBN3) n (n = 2-4) have the core structures of a 2n-membered ring with alternating boron and α-nitrogen atoms. The relationships between geometrical parameters and oligomerization degree n are discussed. The calculated IR spectra have four main characteristic regions. Trends in thermodynamic properties with temperature and oligomerization degree n are discussed. Thermodynamic analysis of the gas-phase oligomerizations shows that formation of the most stable heterocycles (HBrBN3) n (n = 2-4) is enthalpy driven in the range of 200-800 K. 相似文献
8.
In order to find single source precursors (SSP), the structures, relative stabilities, and IR spectra of small asymmetric clusters (HFInN3) n (n = 1–6) are systematically investigated by means of the density functional theory at the B3LYP level. The obtained geometries show that the frameworks of clusters (HFInN3) n (n = 2–6) prefer to be 2n-membered ring with alternating indium and α-nitrogen atoms. The averaged binding energies reveal that all of asymmetric clusters (HFInN3) n (n = 1–6) can continue to gain energy as the cluster size n increasing. The second-order difference of energy (Δ2E) and the HOMO-LUMO energy gap (Egap) as a function of the cluster size n both exhibit a pronounced even-odd alternation phenomenon. The influences of cluster size n and temperature T on the thermodynamic properties of clusters are discussed. Judged by enthalpies and Gibbs free energies, the formations of the most stable clusters (HFInN3) n (n = 2–6) from the monomer are thermodynamically favorable in the range of 200–800 K. 相似文献
9.
E. G. Gumbris E. V. Peresypkina A. V. Virovets T. G. Cherkasova 《Russian Journal of Inorganic Chemistry》2012,57(3):337-342
New complexes of composition [Bi(DMSO)8][Fe(NCS)6] (1) and [Al(DMSO)6][Al(NCS)6] (2) have been prepared, and an octahedral hexarodanoaluminate anion has been structurally characterized for the first time. Crystals of compound 1 are triclinic, space group \(P\bar 1\), a = 11.2368(4) Å, b = 11.4063(4) Å, c = 21.0711(9) Å, α = 92.9520(10)°, β = 99.9430(10)°, γ = 111.9290(10)°, V = 2447.69(16) Å3, Z = 2, ρcalc = 1.680 g/cm3, R 1 = 0.0564; crystals of compound 2 are cubic, space group \(Pa\bar 3\), a = 15.8201(4) Å, V = 3959.39(17) Å3, Z = 4, ρcalc = 1.462 g/cm3, R 1 = 0.0475. The bismuth coordination polyhedron BiO8 in compound 1 is a distorted square antiprism with broken square faces (Bi-O, 2.368-2.582 Å). In the structure of 2, the cation disordered in a complex manner has an octahedral configuration (Al-O, 1.888(11)-1.912(11) Å). 相似文献
10.
Yu. V. Kokunov Yu. E. Gorbunova V. V. Kovalev 《Russian Journal of Coordination Chemistry》2009,35(9):643-647
The complex [Co(2-Me-Pyz)2(H2O)4](NO3)2 is synthesized and its structure is determined. The crystals are monoclinic: space group P21/n, a = 10.685(2) Å, b = 6.837(1), c = 12.515(3) Å, β = 91.84(3)°, V = 913.8(3) Å3, ρcalcd = 1.042 g/cm 3, Z = 2. The Co2+ ion (in the inversion center) is coordinated at the vertices of the distorted octahedron by two nitrogen atoms of methylpyrazine and four oxygen atoms of the water molecules (Co(1)–N(1) 2.180(3), average Co(1)–O(w) 2.079(3) Å, angles at the Co atom 87.9(1)–92.1(1)°). Supramolecular pseudometallocycles are formed in the structure through the O(w)–H…N(1) hydrogen bonds between the coordinated H2O molecules and the terminal nitrogen atoms of the 2-methylpyrazine molecules. Their interaction results in the formation of supramolecular layers joined by the NO3 groups into a three-dimensional framework. 相似文献
11.
S. P. Khranenko I. A. Baidina S. A. Gromilov A. V. Belyaev 《Journal of Structural Chemistry》2005,46(6):1060-1065
Powder and single crystal X-ray diffraction studies have been performed for anhydrous nitrate complexes Rb2[Pd(NO3)4] (I) and Cs2[Pd(NO3)4] (II). Crystal data for I: a = 7.843(1) Å, b = 7.970(1) Å, c = 9.725(1) Å; β = 100.39(1)°, V = 597.9(1) Å 3, space group P21/c, Z = 2, d calc = 2.918 g/cm3; for II: a = 10.309(2) Å, b = 10.426(2) Å, c = 11.839(2) Å; β = 108.17(3)°, V = 1209.0(4) Å3, space group P21/c, Z = 4, d calc = 3.408 g/cm3. The structures are formed by isolated [Pd(NO3)4]2? complex anions and alkali metal cations. The plane-square environment of the Pd atom is formed from the oxygen atoms of the monodentate nitrate groups. The geometrical characteristics of the complex anions are analyzed. Compound II has a short contact Pd...Cs 3.252 Å. 相似文献
12.
G. -H. Cui J. -C. Geng T. -F. Liu X. Peng C. -H. He C. -H. Jiao 《Journal of Structural Chemistry》2012,53(3):509-513
A novel copper(II) complex {[Cu(BIX)2(H2O)2](PhCOO)2} n (1) (BIX = 1,4-bis(imidazole-1-methyl))-benzene) is synthesized and characterized by elemental analysis, IR, TG, and single crystal X-ray diffraction. Complex 1 crystallizes in the triclinic crystal system with the P-1 space group, Z = 1, a = 9.465(2) Å, b = 9.703(2) Å, c = 12.060(2) Å, α = 77.26(3)°, β = 70.37(3)°, γ = 67.14(3)°, and V = 956.1(3) Å3. The crystal structural analysis of complex 1 shows that the copper center is six-coordinated in an elongated octahedral geometry by four N atoms from four different BIX and two O atoms from two water molecules; two neighboring Cu(II) cations are bridged by two BIX extending into an infinite 1D double chain structure. 相似文献
13.
A novel one-dimensional chain complex [Cd(NITpPy)2(N(CN)2)2)] n (NITpPy = 2-(4′-pyridyl)-4,4,5,5-tetramethylimidazoline-1-oxyl-3-oxide) has been synthesized and characterized structurally. It crystallizes in the triclinic space group P \(\bar 1\) with a = 7.1742(13), b = 9.4913(17), c = 13.208(2) Å, α = 71.020(2)°, β=87.308(2)°, γ = 70.503(2)°, V = 799.8(3) Å3, C28H32CdN12O4, Mr = 713.06, Z = 1, ρ c = 1.48 g/cm3, μ(MoK α) = 0.736 mm?1, F(000) = 364, R = 0.0275 and wR = 0.0605 for 2702 observed reflections with I > 2σ(I). The crystal structure consists of infinite chains of [Cd(NITpPy)2(N(CN)2)2)] units linked by dicyanamide anions [N(CN)2]?. Each Cd2+ ion is six-coordinated with the geometry of a distorted octahedron. 相似文献
14.
The crystal structure of europium cinnamate of the composition [Eu(Cin)3] n (Cin is cinnamic acid anion C9H7O 2 ? ) was determined by X-ray crystallography (a = 22.626(1) Å, c = 7.7330(7) Å, space group R3/c, Z = 3, ρcalc = 1.448 g/cm3). The coordination polyhedron of Eu atoms is a distorted trigonal prism with three centered square faces. The structure is built of infinite polymeric chains [Eu(Cin)3] n running along the c axis and linked by van der Waals and π stacking interactions. Luminescent characteristics of the compound were determined. 相似文献
15.
Novel complex salts [Au(en)2]Cl(ReO4)2 (I) and [Au(en)2](ReO4)3 (II), en = ethylenediamine, are obtained. Their crystal structures are determined by single crystal X-ray diffraction. Complex I crystallizes in the triclinic crystal system: a = 6.2172(7) Å, b = 7.1644(8) Å, c = 8.8829(8) Å, α = 96.605(4)°, β = 110.000(4)°, γ = 97.802(4)°, P-1 space group, Z = 1, d x = 3.905 g/cm3; complex II crystallizes in the monoclinic crystal system: a = 15.244(2) Å, b = 7.6809(8) Å, c = 9.3476(12) Å, β = 127.004(3)°, C2 space group, Z = 4, d x = 4.057 g/cm3. 相似文献
16.
(U)PBE0/cc-pVDZ method is used to study the structure of C60Cl30, C60(OH)30 molecules and Fe@C60(OH)30 endocomplex. The triplet state of the endocomplex is shown to be the lowest in energy among its four states corresponding to different spin multiplicities and positions of Fe nucleus within the fullerene cavity. This state is characterized by bonding between the iron atom and one of two benzenoid cycles of the carbon cage, six internuclear Fe–C distances (208 pm), and 1s22s22p63s23p63d7.24s0.14p0.3 electron configuration of iron with spin population of 2.36. 相似文献
17.
I. Ya. Zaitseva I. S. Kovaleva V. A. Fedorov 《Russian Journal of Inorganic Chemistry》2009,54(6):840-841
CsZn2Br5 crystals are studied by X-ray diffraction. The compound crystallizes in the monoclinic system with the unit cell parameters a = 6.8880(12) Å, b = 10.4703(19) Å, c = 6.5197(9) Å, β = 108.25°, V = 446.55 Å3, ρcalcd = 4.960 g/cm3. Refractive indices are n p = 1.640 and n p = 1.754. 相似文献
18.
L. B. Serezhkina E. V. Mit'kovskaya I. V. Medrish E. V. Grechishnikova F. M. Dolgushin M. Yu. Antipin V. N. Serezhkin 《Russian Journal of Coordination Chemistry》2005,31(12):889-893
The single crystals of [UO2SO4{(CH3)HNCONH(CH3)}2] (I) were synthesized and studied by X-ray diffraction. The crystals are monoclinic, a = 6.847(1) Å, b = 14.259(3) Å, c = 14.297(3) Å, β = 93.451(4)°, space group P21/n, Z = 4. The main structural units of crystals I are ribbons whose composition coincides with the composition of the compound. The crystal chemical formula of the complex is AT3M 2 1 (A = UO 2 2+ ). 相似文献
19.
Riadh Kefi Erwann Jeanneau Frederic Lefebvre Cherif Ben Nasr 《Structural chemistry》2007,18(6):923-929
Chemical preparation, crystal structure, and NMR spectroscopy of a new trans-2,5-dimethylpiperazinium monophosphate are given. This new compound crystallizes in the triclinic system, with the space group P-1 and the following parameters: a = 6.5033(3), b = 7.6942(4), c = 8.1473(5) Å, α = 114.997(3), β = 92.341(3), γ = 113.136(3), V = 329.14(3) Å3, Z = 1, and Dx = 1.565 g cm?3. The crystal structure has been determined and refined to R = 0.030 and R w(F 2) = 0.032 using 1558 independent reflections. The structure can be described as infinite [H2PO4] n n? chains with (C6H16N2)2+ organic cations anchored between adjacent polyanions to form columns of anions and cations running along the b axis. This compound has also been investigated by IR, thermal, and solid-state, 13C and 31P MAS NMR spectroscopies and Ab initio calculations. 相似文献
20.
The structural parameters of the (2Σ+//C∞v)-YbF, (1A1//C2v)-YbF2, (2A2′//D3h)-YbF3, (1Ag//D2h)-YbF2Yb, (1Ag//C2h)-FYbF2YbF, (1A1//C2v)-FYbF2YbF, (1A1//C2v)-YbF2YbF2, (3B3u//D2h)-F2YbF2YbF2, (2A′//Cs)-FYbF2YbF2, and (3B2//С2v)-F2YbF2CeF2 molecules have been determined. Disproportionation of ytterbium monofluoride (2YbF → YbF2 + Yb + 0.46 eV) is less exothermic than dimerization (2YbF → YbF2Yb + 2.10 eV). The bond energy of the ytterbium difluoride molecules in the trans dimer (2.93 eV) exceeds those in the cis dimer (2.86 eV) and the coaxial dimer (1.66 eV). Ytterbium trifluoride dimerizes exothermically (2.95 eV) without spin pairing. The dipole and quadrupole moments of the molecules as well as the charges and spin populations of the atoms and the valence electron configurations of the lanthanides have been calculated. 相似文献