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1.
O. P. Charkin 《Russian Journal of Inorganic Chemistry》2008,53(12):1910-1919
The structural and energetic characteristics of the lowest-lying structures for isolated molecules and ions of light-metal boro-and aluminohydrides L (MH4)3, HL(MH4)2, and H2L(MH4)(L = Be, Mg, Al, Sc, Ti, V, Zn; M = B, Al) with different coordination modes of and groups were calculated by the perturbation theory (MP2), coupled cluster (CCSD(T)), and density functional theory (B3LYP) methods using the 6-31G*, 6-311+G**, and 6-311++G** basis sets. The preferable coordination modes of the ligands in these complexes, as well as the differences and trends in the behavior of the structural parameters and dissociation energies for the loss of BH3 (AlH3) molecules and BH 4 ? (AlH 4 ? ) ions were analyzed in various related series of hydroborates and hydroaluminates. 相似文献
2.
G. G. Skvortsov M. V. Yakovenko G. K. Fukin E. V. Baranov Yu. A. Kurskii A. A. Trifonov 《Russian Chemical Bulletin》2007,56(3):456-460
The reactions of lanthanide tris(borohydrides) Ln(BH4)3(thf)3 (Ln = Sm or Nd) with 2 equiv. of lithium N,N′-diisopropyl-N′-bis(trimethylsilyl)guanidinate in toluene produced the [(Me3Si)2NC(NPri)2]Ln(BH4)2Li(thf)2 complexes (Ln = Sm or Nd), which were isolated in 57 and 42% yields, respectively, by recrystallization from hexane. X-ray
diffraction experiments and NMR and IR spectroscopic studies demonstrated that the reactions afford monomeric ate complexes, in which the lanthanide and lithium atoms are linked to each other by two bridging borohydride groups. The complexes
exhibit catalytic activity in polymerization of methyl methacrylate.
Published in Russian in Izvestiya Akademii Nauk. Seriya Khimicheskaya, No. 3, pp. 441–445, March, 2007. 相似文献
3.
W. Xinmin Q. Chuansong Q. Songsheng T. Zhicheng 《Journal of Thermal Analysis and Calorimetry》2007,90(2):569-573
Rare-earth perchlorate complex coordinated with glycine [Nd2(Gly)6(H2O)4](ClO4)6·5H2O was synthesized and its structure was characterized by using thermogravimetric analysis (TG), differential thermal analysis
(DTA), chemical analysis and elementary analysis. Its purity was 99.90%. Heat capacity measurement was carried out with a
high-precision fully-automatic adiabatic calorimeter over the temperature range from 78 to 369 K. A solid-solid phase transformation
peak was observed at 256.97 K, with the enthalpy and entropy of the phase transformation process are 4.438 kJ mol−1 and 17.270 J K−1 mol−1, respectively. There is a big dehydrated peak appears at 330 K, its decomposition temperature, decomposition enthalpy and
entropy are 320.606 K, 41.364 kJ mol−1 and 129.018 J K−1 mol−1, respectively. The polynomial equations of heat capacity of this compound in different temperature ranges have been fitted.
The standard enthalpy of formation was determined to be −8023.002 kJ mol−1 with isoperibol reaction calorimeter at 298.15 K. 相似文献
4.
D. V. Pushkin E. V. Peresypkina L. B. Serezhkina A. V. Savchenkov A. V. Virovets V. N. Serezhkin 《Russian Journal of Inorganic Chemistry》2012,57(2):175-180
Single crystals of (CN3H6)2[(UO2)2(C2O4)(SeO3)2] were synthesized and studied by IR spectroscopy and X-ray diffraction. The compound crystallizes in the triclinic system
with the unit cell parameters a = 7.1169(12) ?, b = 7.4874(10) ?, c = 8.9748(14) ?, α = 88.243(6)°, β = 74.546(6)°, γ = 81.445(6)°, space group P[`1]P\bar 1, Z = 1, R = 0.0304. The main structural units of the crystals are layers of the [(UO2)2(C2O4)(SeO3)2]2− composition; the layers belong to the crystal chemical group A
2
K
02
T
23 (A = UO22+
K
02 = C2O42−, T
3 = SeO3–) of uranyl complexes. Uranium-containing complex groups are linked by electrostatic interactions and a network of hydrogen
bonds with CN3H6+ guanidinium ions to form a three-dimensional framework. 相似文献
5.
D. N. Akbayeva 《Russian Journal of Coordination Chemistry》2007,33(9):661-668
Novel bimetallic Ru-Pt and Fe-Pt complexes, [M(C5R5)(L)2(η1-P4)]Y (M = Ru, Fe; R = H, Me; L = PPh3, 1/2Dppf (Ph2P(C5H4)Fe(C5H4)PPh2), 1/2Dppe (Ph2PCH2CH2PPh2); Y = PF6, CF3SO3, BPh4) were synthesized for the first time by the reaction of η1-tetraphosphorus complexes of ruthenium(II) and iron(II), [M(C5R5)(L)2(η1-P4)]Y with platinum(0) complex [Pt(η2-C2H4)(PPh3)2] in acetone. The structures and compositions of the title complexes were studied by the 31P NMR, correlated 31P-31P NMR COSY, NOESY, 1H-spectroscopy, and elemental analysis. The carbene-like fragment Pt(PPh3)2 generated in situ was found to be inserted at the P-P bond of the η1-coordinated tetraphosphorus and migrate between the phosphorus atoms of the obtained ligand μ, η1: η2-P4. The exchange process in the novel complexes was investigated.
Original Russian Text ? D.N. Akbayeva, 2007, published in Koordinatsionnaya Khimiya, 2007, Vol. 33, No. 9, pp. 673–680. 相似文献
6.
I. A. Charushnikova A. M. Fedoseev N. A. Budantseva I. N. Polyakova Ph. Moisy 《Russian Journal of Coordination Chemistry》2007,33(1):61-67
Uranyl complexes with acetylenedicarboxylic acid, K(H5O2)[UO2L2H2O] · 2H2O (I) and Cs2[UO2L2H2O] · 2H2O (II), L2− = C4O
4
2−
were prepared for the first time. The composition and structure of the complexes were determined by X-ray diffraction. The
crystal data are as follows: a = 16.254(12) ?, b = 13.508(8) ?, c = 7.683(6) ?, β = 90.91(7)°, space group C2/c, V = 1687(2) ?3 (I); a = 7.0745(10), b = 18.4246(10), c = 13.1383(10) ?, space group Abm2, V = 1712.5(3) ?3 (II). The structures of I and II are based on [UO2L2H2O]
n
2−
anionic chains stretched along the [101] direction (I) or [010] direction (II). In I and II, the uranium coordination polyhedron is a pentagonal bipyramid in which the equatorial environment of the uranyl ions is
formed by the oxygen atoms of the four L2− anions and the water molecule. The L2− anions in I and II are bidentate bridging ligands connecting two uranium atoms that are next to each other in the anionic chain; their coordination
capacity is equal to 2. In I, the K+ and H5O
2
+
cations are outer-sphere species. The latter form hydrogen bonds combining the anionic chains shifted by translation b with respect to each other. The [UO2L2H2O]
n
2−
chains in I are surrounded by the potassium and oxonium cations; in II, these are combined by hydrogen bonds into anionic layers between which Cs+ cations are arranged. The IR spectrum of compound II was measured and interpreted.
Original Russian Text ? I.A. Charushnikova, A.M. Fedoseev, N.A. Budantseva, I.N. Polyakova, Ph. Moisy, 2007, published in
Koordinatsionnaya Khimiya, 2007, Vol. 33, No. 1, pp. 63–69. 相似文献
7.
The variable temperature 13C NMR spectra of H2Os3(CO)10 and H2Os3(CO)10L (L P(C6H5)3, P(O-i_C3H7)s3) and P(i_C3H7)3) have been recorded and the results interpreted in terms of a localized exchange process involving concerted motion of the hydride and the carbonyl ligands. Taken along with previously reported variable temperature 1H NMR data the results provide a complete picture of the ligand dynamics in these systems. 相似文献
8.
L. B. Serezhkina E. V. Peresypkina A. V. Virovets N. A. Neklyudova 《Russian Journal of Inorganic Chemistry》2010,55(7):1020-1025
Single crystals of (H3O)[UO2(CH3COO)3] (I) and (NH(C2H5)3)[UO2(CH3COO)3] (II) are synthesized, and their structures are studied by X-ray crystallography. Compound I crystallizes in the tetragonal crystal system with the unit cell parameters a = 13.70640(10) ?, c = 27.5258(5) ?, V = 5171.14(11) ?3, space group I41/a, Z = 16, R = 0.0238. The crystals of compound II are orthorhombic with the parameters a = 13.3685(3) ?, b = 10.6990(3) ?, c = 12.2616(3) ?, V = 1753.77(8) ?3, space group Pna21, Z = 4, R = 0.0228. The uranium-containing structural units of crystals I and II are [UO2(CH3COO)3]− island mononuclear groups belonging to the A B301(A = UO22+, B01 = CH3COO−) crystal-chemical group of uranyl complexes. [UO2(CH3COO)3]− complexes are linked into a three-dimensional framework by electrostatic interactions with the outer-sphere cations and by
hydrogen bonds involving the hydrogen atoms of hydroxonium (I) or triethylammonium (II) with the oxygen atoms of the acetato groups. 相似文献
9.
S. V. Larionov V. L. Varand R. F. Klevtsova T. G. Leonova L. A. Glinskaya E. M. Uskov 《Russian Journal of Coordination Chemistry》2008,34(12):931-937
The heteroligand complex Nd(Phen){(iso-C4H9)2PS2}2(NO3) (I) was synthesized and its IR spectrum was analyzed. The anions (iso-C4H9)2PS2/− and N3/− act as bidentate cyclic ligands. The single crystals of [Nd(Phen){iso-C4H9)2PS2}3] (II) were obtained on evaporation of a solution of complex I in a mixture CH2Cl2-hexane and were studied by X-ray diffraction. Crystals II are triclinic: a = 10.5509(5); b = 14.7432(8), c = 16.8503(10) ?; α = 102.882(2)°, β = 97.211(2)°, γ= 108.087(2)°, V = 2374(2) ?3, Z = 2, ρ(calcd.) = 1.332 g/cm3, space group . The coordination polyhedron of the Nd atom in a separate mononuclear molecule II is a distorted dodecahedron N2S6. The molecules are bound by weak van der Waals and π-π interactions. The photoluminescence spectra of complexes I, II were measured and interpreted.
Original Russian Text ? S.V. Larionov, V.L. Varand, R.F. Klevtsova, T.G. Leonova, L.A. Glinskaya, E.M. Uskov, 2008, published
in Koordinatsionnaya Khimiya, 2008, Vol. 34, No. 12, pp. 944–950. 相似文献
10.
Three-coordinate RhX(PCy3)2 complexes (X = F, Cl, Br, I; Cy = cyclohexyl) have been prepared from rhodium(I) cyclooctene compounds. RhCl(PCy3)2 is in equilibrium with its dimer. The complexes RhX(PCy3)2 (X = Cl, Br, I) form the adducts RhX(PCy3)2(N2) with dinitrogen, the times for N2-fixation being 4 days, 3 hours and 15 minutes respectively. The three-coordinate complexes form four-coordinate dioxygen adducts RhX(PCy3)2(O2) which have unusually high ν(OO) at about 990 cm?1. This high frequency is attributed to the four-coordination, which is exceptional for dioxygen complexes. From RhF(PCy3)2 carbonyl, ethene, and diphenylacetylene complexes RhX(PCy3)2L (X = F, Cl, Br, I, N3, NCO, NCS; L = CO, C2H4, C2Ph2) (X = CN, NO3, acetate; L = CO) have been prepared. The trans-influence of the anionic ligands on the infrared frequencies of the neutral ligands is discussed in terms of the different π-bonding properties of the X- and L-ligands. 相似文献
11.
X. H. Zhao 《Russian Journal of Coordination Chemistry》2011,37(8):585-588
A solvothermal reaction of 2-pyrazinic acid with Zn(SO4)2 · 7H2O yielded the title complex of the formula {[Zn2(Pyz)2(H2O)4] · SO4}
n
(I). X-ray diffraction study shows that the complex I crystallizes in mono-clinic system, space group P21/c, with lattice parameters a = 11.2687(6), b = 7.3511(4), c = 11.8506(7) ?, β = 95.070(2)°, V = 977.83(9) ?3, Z = 4, and ρcalcd = 2.184 mg m−3. 相似文献
12.
The structure of the product formed on boiling [RuNO(NH3)3(NO2)(OH)]Cl·0.5H2O in 3 M HNO3 is determined by XRD. The crystals belong to monoclinic symmetry. Crystallographic data for H11ClN6O8Ru are: a = 13.7924(4) ?, b = 6.9114(2) ?, c = 12.3577(4) ?, β = 111.863(1)°, V = 1093.27(6) ?3, Z = 4, d
calc = 2.185 g/cm3, space group Cc. The structure is built of complex [RuNO(NH3)3(H2O)Cl]2+ cations and NO3− anions. The compound is studied by IR spectroscopy and X-ray phase analysis.
Original Russian Text Copyright ? 2009 by V. A. Emel’yanov, E. V. Kabin, and I. A. Baidina
__________
Translated from Zhurnal Strukturnoi Khimii, Vol. 50, No. 3, pp. 598–601, May–June, 2009. 相似文献
13.
Bahri Ülküseven Tülay Bal-Demirci Mehmet Akkurt erife Pnar Yaln Orhan Büyükgüngr 《Polyhedron》2008,27(18):3646-3652
The reactions of 5-R-2-hydroxybenzaldehyde-4-allyl-thiosemicarbazone {R: H (L1); Br (L2)} with [MII(PPh3)nCl2] (M = Ni, n = 2 and M = Ru, n = 3) in a 1:1 molar ratio have given stable solid complexes corresponding to the general formula [Ni(L)(PPh3)] and [Ru(HL)2(PPh3)2]. While the 1:1 nickel complexes are formed from an ONS donor set of the thiosemicarbazone and the P atom of triphenylphosphine in a square planar structure, the 1:2 ruthenium complexes consist of a couple from each of N, S and P donor atoms in a distorted octahedral geometry. These mixed-ligand complexes have been characterized by elemental analysis, IR, UV–Vis, APCI-MS, 1H and 31P NMR spectroscopies. The structures of [Ni(L2)(PPh3)] (II) and [Ru(L1H)2(PPh3)2] (III) were determined by single crystal X-ray diffraction. 相似文献
14.
A 3D infinitely extended structural rare earth coordination compound with a formula of K3{[Sm(H2O)7]2Na[α-SiW11O39Sm(H2O)4]2}·14H2O has been synthesized by reaction of Sm2O3, HClO4, NaOH with α-K8SiW11O39·nH2O, and characterized by IR, UV spectra, ICP, TG-DTA, cyclic voltammetry, variable-temperature magnetic susceptibility and
X-ray single-crystal diffraction. X-ray single-crystal diffraction indicates that the title compound crystallizes in a triclinic
lattice, Pī space group, with a = 1.2462(3) nm, b = 1.2652(3) nm, c = 1.8420(4) nm, α = 87.45(3)°, β = 79.91(3)°, γ= 82.57(3)°, Z = 1, R1 = 0.0778, wR2 = 0.1610. Structural analysis reveals that Sm3+(1) coordination cation has incorporated into the vacant site of [α-SiW11O39]8− entity, forming the [α- SiW11O39Sm(H2O)4]5− subunit. The two adjacent [α-SiW11O39Sm(H2O)4]5− subunits are combined with each other through two Sm(1)-O-W bridges accompanying the formation of dimmer structural unit
[α-SiW11O39Sm(H2O)4]2
10− of the title compound. The neighboring dimmer structural units [α-SiW11O39Sm(H2O)4]2
10− are linked to form the 1D chainlike structure by means of two Sm3+(2) and a Na+(1) coordination cations. The K+(1) cations connect the 1D packing chains constructing the 2D netlike structure, and adjacent netlike layers are also grafted
by K+(2) cations to build the novel 3D infinitely extended structure. The result of TG-DTA curves manifests that the decomposition
temperature of the title polyanionic framework is 554°C. The cyclic voltammetry measurements show that the title polyanion
has the two-step redox processes in aqueous solution with pH = 3.1. Variable temperature magnetic susceptibility indicates
the title compound obeys the Cruie-Weiss Law in the higher temperature range from 110 to 300 K, while in the lower temperature
range from 2 to 110 K the comparatively strong antiferromagnetism interactions can be observed. 相似文献
15.
Two new octahedral Cd(II) complexes [Cd(L)2] (1) and {[Cd(LH)2(SCN)2]H2O} (2) [where LH = C14H13N3O] are synthesized using a tridentate hydrazone ligand (LH) and they are characterized by elemental analysis, IR spectra, NMR spectra, thermal studies and finally the structures have
been determined by single crystal X-ray diffraction. Complex 1 crystallizes in monoclinic system, space group C2/c with a = 22.565(6) ?, b = 10.252(3) ?, c = 12.187(4) ?, β = 118.851(2)∘, and Z = 4. Complex 2 also crystallizes in the monoclinic system, space group P21/c with a = 9.257(9)?, b = 17.809(2)?, c = 9.548(9)?, β = 107.439(4)∘, and Z = 2. In 1 the ligand binds the Cd(II) ion in tridentate fashion, whereas in 2 it acts as a bidentate ligand. 相似文献
16.
Four Co(II) complexes, [Co(HL)2](OAc)2, [Co(HL)2Cl2], [Co(HL)2(MeOH)2](NO3)2, and [Co2(HL)4(SO4)2] (HL = acetone-N(4)-phenylsemicarbazone) were synthesized and characterized by physicochemical and spectroscopic methods. The magnetic susceptibility
measurements indicate that the complexes are paramagnetic with three unpaired electrons. In all the complexes, the semicarbazone
is coordinated as a neutral bidentate ligand. The structure of [Co(HL)2(MeOH)2](NO3)2 was confirmed by single crystal X-ray crystallography. The ligand is neutral and bidentate, being coordinated to the cobalt
atom through the carbonyl oxygen and the azomethine nitrogen. Intermolecular hydrogen bonding and C–H···π interactions combine
to stabilize the crystal structure. The ligand and its two complexes [Co(HL)2Cl2] and [Co(HL)2(MeOH)2](NO3)2 were screened for their antibacterial and antifungal activities using disk diffusion methods. 相似文献
17.
N. V. Izarova M. N. Sokolov A. V. Virovets H. G. Platas V. P. Fedin 《Journal of Structural Chemistry》2005,46(1):147-153
A complex of the composition KNa3[Fe3O(CH3COO)6(H2O)3]3 [α-P2W17Fe(H2O)O61]·32.5H2O (I) was obtained by interaction of FeCl3·6H2O and phosphotungstate K10[α2-P2W17O61]·20H2O in an acetate buffer with a yield of 52%. Compound I was characterized by single crystal X-ray phase analysis and IR spectroscopy. In the crystal structure, the Na and K cations
bind [Fe3O(CH3COO)6(H2O)3]+ trinuclear cations and [α-P2W17Fe(H2O)O61]7− heteropolytungstate anions into infinite zigzag chains.
Original Russian Text Copyright ? 2005 by N. V. Izarova, M. N. Sokolov, A. V. Virovets, H. G. Platas, and V. P. Fedin
__________
Translated from Zhurnal Strukturnoi Khimii, Vol. 46, No. 1, pp. 149–155, January–February, 2005. 相似文献
18.
V. A. Afanasieva L. A. Glinskaya R. F. Klevtsova I. V. Mironov 《Journal of Structural Chemistry》2005,46(5):876-882
Protonation equilibrium has been studied for the acyclic gold(III) tetraaza metallocomplex [AuB]2+ [B = N, N′-bis(2-aminoethyl)-2,4-pentanediiminato(1−)] in aqueous solution. The synthetic procedure is described. The crystal
and molecular structure of the protonated form of the [AuHB](H5O2)(ClO4)4 complex has been determined. Monoclinic crystals with unit cell dimensions a = 11.964(2) Å, b = 13.789(3) Å, c = 15.496(3) Å, β = 109.00(3)°, V = 2417.1(8) Å3, Z = 4, ρcalc = 2.243 g/cm3, space group P21/n. The structure is built of nearly planar [Au(C9H20N4)]3+ complex cations, (H5O2)+ cations, and [ClO4]− anions. The gold atom coordinates four nitrogen atoms of the ligand, forming a square plane. The six-membered chelate ring
of the ligand is protonated at the central β-carbon atom and contains imine C=N bonds. The oxygen atoms of the perchlorate
ions are hydrogen bonded to the (H5O2)+ dihydroxonium ion and to the nitrogen atoms of the NH2 groups of the [AuHB]3+ cation.
Original Russian Text Copyright ? 2005 by V. A. Afanasieva, L. A. Glinskaya, R. F. Klevtsova, and I. V. Mironov
__________
Translated from Zhurnal Strukturnoi Khimii, Vol. 46, No. 5, pp. 909–915, September–October, 2005. 相似文献
19.
A new organic-inorganic hybrid polyoxometalate based on Dawson-like polyoxotungstate anion [SbW18O60]9-, formulated [Co(2,2'-bpy)3]2[Co(2,2'-bpy)2Cl][Co(2,2'-bpy)2]H2[SbW18O60]·4H2O (2,2'-bpy= 2,2(-bipyridine) has been synthesized from Sb2O3, Na2WO4, CoCl2, and 2,2'-bipyridine materials by hydrothermal method, and which was characterized by elemental analyses, IR, XPS, EPR, TG, and X-ray single crystal diffraction. Structure analysis shows that the polyoxoanion self-assembled under hydrothermal conditions consists of a Dawson-like polyoxotungstate cluster anion [SbW18O60]9- encapsulating a pyramidal {SbO3} group within the {W18} cluster cage. EPR spectra show that the high-spin octahedral CoⅡ and low-spin CoⅡ ions coexist in the title compound. Magnetic properties indicate that the compound is antiferromagnetic. 相似文献
20.
Karolina Kazmierczak 《Journal of solid state chemistry》2011,184(5):1221-1226
The lanthanide sulphate octahydrates Ln2(SO4)3·8H2O (Ln=Ho, Tm) and the respective tetrahydrate Pr2(SO4)3·4H2O were obtained by evaporation of aqueous reaction mixtures of trivalent rare earth oxides and sulphuric acid at 300 K. Ln2(SO4)3·8H2O (Ln=Ho, Tm) crystallise in space group C2/c (Z=4, aHo=13.4421(4) Å, bHo=6.6745(2) Å, cHo=18.1642(5) Å, βHo=102.006(1) Å3 and aTm=13.4118(14) Å, bTm=6.6402(6) Å, cTm=18.1040(16) Å, βTm=101.980(8) Å3), Pr2(SO4)3·4H2O adopts space group P21/n (a=13.051(3) Å, b=7.2047(14) Å, c=13.316(3) Å, β=92.55(3) Å3). The vibrational and optical spectra of Ho2(SO4)3·8H2O and Pr2(SO4)3·4H2O are also reported. 相似文献