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1.
New half-sandwich titanocene complexes (η5-C5Me5)Ti(OC6F5)3 (1), (η5-C5Me5)Ti(OCH2C6F5)3 (2), and (η5-C5Me5)Ti(OCH2C6F2H3)3 (3) were synthesized via the displacement of methoxide ligands in (η5-C5Me5)Ti(OMe)3 by the corresponding aryloxy or benzyloxy ligands. These compounds have been fully characterized by various spectroscopic methods including X-ray crystallography. Compound 1 has a distorted three-legged piano stool structure. However, complexes 2 and 3 have the chariot-like structure, where chariot means a two-wheeled horse-drawn vehicle. The π electron donation of oxygen atom to Ti center in complexes 1-3 is considerable. 相似文献
2.
Y. Pesheva N. Abadzhjieva E. Vrachnou Y. Kovanis V. Rives C. del Hoyo D. Klissurski 《Reaction Kinetics and Catalysis Letters》1994,53(2):283-288
Methanol oxidation on V2O5 and V2O5–MoO3 catalysts supported on montmorillonite has been studied in the temperature range of 250–500°C. The V2O5–MoO3 containing sample shows higher selectivity towards formaldehyde formation than the V2O5 catalyst. 相似文献
3.
Yu-Pin Wang Hsien-Li Leu Tso-Shen Lin Gene-Hsiang Lee 《Journal of organometallic chemistry》2008,693(15):2615-2623
With copper(I) iodide as catalyst, σ-alkynyls, compounds (η5-C5H5)Cr(NO)2(CC-C6H5) (5), [(η5-C5H4)-COOCH3]Cr(NO)2(CC-C6H5) (10), and [(η5-C5H4)-COOCH3]W(CO)3(CC-C6H5) (13), were prepared from their corresponding metal chloride 1, 6 and 12. Structures of compound 3, 5 and 12 have been solved by X-ray diffraction studies. In the case of 5, there is an internal mirror plane passing through the phenylethynyl ligand and bisecting the Cp ring. The phenyl group is oriented perpendicularly to the Cp with an eclipsed conformation. The twist angle is 0° and 118.4° for -CC-Ph and two NO ligands, respectively. The orientation is rationalized in terms of orbital overlap between ψ3 of Cp, dπ of Cr atom, and π∗ of alkynyl ligand, and complemented by molecular orbital calculation. The opposite correlation was observed on the chemical shift assignments of C(2)-C(5) on Cp ring in compounds 6 and 12, using HetCOR NMR spectroscopy. The electron density distribution in the cyclopentadienyl ring is discussed on the basis of 13C NMR data and compared with the calculations via density functional B3LYP correlation-exchange method. 相似文献
4.
A. I. Klyndyuk E. A. Chizhova V. M. Kononovich 《Russian Journal of Inorganic Chemistry》2008,53(10):1561-1565
We study the effect of Y3+ ↔ Ba2+ and Cu2+ ↔ Fe3+ substitutions on the structure, thermal expansion, electrical conductivity, and thermal e.m.f. of layered ferrocuprate YBaCuFeO5 + δ · YBa(Cu1−x
Fe
x
)2O5 + δ solid solutions with 0.45≤x≤0.55 are formed. The unit cell parameters, thermal expansivity, and oxygen nonstoichiometry index of the YBaCuFeO5 +δ phase (δ) are almost independent of variations in the cationic composition of this phase. The electrical conductivity of
layered yttrium barium ferrocuprate increases, whereas the activation energy of conductivity decreases in response to Ba2+ → Y3+ and Cu2+ → Fe3+ substitutions (with increasing copper(III) proportion in samples). The thermal e.m.f. of ceramics decreases when composition
deviates from the cationic stoichiometry (YBaCuFeO5 +δ).
Original Russian Text ? A.I. Klyndyuk, E.A. Chizhova, V.M. Kononovich, 2008, published in Zhurnal Neorganicheskoi Khimii,
2008, Vol. 53, No. 10, pp. 1672–1676. 相似文献
5.
用Xα方法计算了Ni(C5H5)2的电子能级与归一化电荷,讨论了夹心化合物成键的特点,并用过渡态方法分析Ni(C5H5)2的光电子能谱及紫外可见吸收光谱,结果与实验相符。 相似文献
6.
A. S. Zaeva T. A. Rodina A. V. Ivanov A. V. Gerasimenko 《Russian Journal of Inorganic Chemistry》2011,56(8):1318-1323
A solvated form of zinc dimethyldithiocarbamate adduct with piperidine of the composition [Zn{NH(CH2)5}{S2CN(CH3)2}2] · 2C6H5CH3 (I) was synthesized. The structure and thermal properties of the adduct were studied by X-ray crystallography and simultaneous
thermal analysis (STA). The structure of compound I is characterized by the presence of a system of channels populated by solvating toluene molecules (structural type of lattice
clathrates). The central zinc atom coordinates two dithiocarbamate ligands and a piperidine molecule (zinc coordination number
CNZn = 5). The zinc polyhedron geometry is intermediate between a tetragonal pyramid (TP) and trigonal bipyramid (TBP); the contributions
of the TP and TBP components were evaluated from the X-ray diffraction data. The STA study of the thermal properties of I has shown that the weight loss occurs in three steps and includes desorption of solvating toluene molecules, then, desorption
of coordinated piperidine molecules, and thermolysis of the dithiocarbamate moiety of the complex with formation of a zinc
sulfate powder. 相似文献
7.
The new ferrocenylmethylphosphines PH(CH2Fc)2 (1) [Fc = Fe(η5-C5H5)(η5-C5H4)] and P(CH2Fc)3 (2) and the phosphonium salt [P(CH2Fc)3(CH2OH)]I (3) were synthesised from P(CH2OH)3 and [FcCH2NMe3]I. [P(CH2Fc)(CH2OH)3]Cl (4) was obtained from P(CH2Fc)(CH2OH)2, CH2O and HCl. The new phosphines and phosphonium salts were fully characterised by NMR and IR spectroscopy and MS. [Mo(CO)6] reacts with 1 to give [Mo(CO)5{PH(CH2Fc)2}] (5) in high yield, but attempts to employ 2 as a ligand failed. The reaction of [P(CH2Fc)3(CH2OH)]I (3) and [PH(CH2Fc)3]I (obtained in situ from 3 and Na2S2O5) with [WI2(CO)3(NCMe)2] gave the complex salts [P(CH2Fc)3(CH2OH)][WI3(CO)4] (6) and [PH(CH2Fc)3][WI3(CO)4] (7), respectively. [P(CH2Fc)4]I (8) was synthesized from PH2CH2Fc and [FcCH2NMe3]I. Crystal structures were obtained for 1, 3-8. 相似文献
8.
Donna S. Amenta John W. Gilje Frank T. Edelmann Steffen Blaurock 《Journal of organometallic chemistry》2006,691(23):5065-5068
The reaction of with p-CH3C6H4S(O)2O(CH2)3C6H5 produces (η5-C5H5)(OC)3Mo(CH2)3C6H5. This is only the second structurally characterized organometallic species in which an aromatic moiety is separated by three or more methylene groups. The alkyl chain adopts a staggered conformation, the Mo-C(1)-C(2)-C(3)-C(4) unit is nearly coplanar, and the alkyl chain eclipses the trans-carbonyl group on Mo. NMR evidence indicates that this conformation is preserved in solution. 相似文献
9.
10.
Anil C.A. Jayasundera Yang Li Philip Lightfoot 《Journal of solid state chemistry》2010,183(2):356-5993
The solvothermal syntheses and crystal structures of three indium fluorides are presented. K5In3F14 (1) and β-(NH4)3InF6 (2) are variants on known inorganic structure types chiolite and cryolite, respectively, with the latter exhibiting a complex and apparently novel structural distortion. [NH4]3[C6H21N4]2[In4F21] (3) represents a new hybrid composition displaying a unique trimeric metal fluoride building unit. 相似文献
11.
L. J. Ottendorfer 《Fresenius' Journal of Analytical Chemistry》1964,204(5):392
Ohne Zusammenfassung 相似文献
12.
The effects of SO2, V2O5 loading and reaction temperature on the activity of activated carbon supported vanadium oxide catalyst have been studied for the reduction of NO with NH3 at low temperatures (150—250°C). It is found that SO2 significantly promotes the catalyst activity. Both V2O5 loading and reaction temperature are vital to the promoting effect of SO2. The catalysts with V2O5 loadings of 1—5 weight percent have a positive effect on the promotion of SO2, while the catalysts with V2O5 loadings of above 7 weight percent have not such an effect or show a negative effect. At lower temperatures (<180°C) SO2 poisons the catalyst but at higher temperatures promotes it. The reason of the SO2 promotion was also discussed; it may results from the formation of SO4 2− on the catalyst surface, which increases the surface acidity and hence the catalytic activity. 相似文献
13.
T. M. Polyanskaya E. A. Ilinchik V. V. Volkov M. K. Drozdova O. P. Yureva G. V. Romanenko 《Journal of Structural Chemistry》2008,49(3):494-503
A novel compound of {[(C6H5)NH]2C=NH(C6H5)}[B(C6H5)4]·C2H5OH is prepared and examined by single crystal X-ray diffraction. Crystal data: C45H44BN3O, M = 653.64, monoclinic, space group P21/c, unit cell parameters: a = 24.375(2) Å, b = 17.5829(15) Å, c = 18.090(1) Å, β = 105.277(2)°, V = 7479.0(11) Å3, Z = 8, d
calc = 1.161 g/cm3, T = 293 K, R
1 = 0.064. The structure contains two crystallographically independent cations, two anions, and two solvate ethanol molecules.
Three types of interactions occur between them: interionic N-H(N)⋯π and N(H)⋯π⋯H(C), π-delocalized system of Ph rings of the
anions, and interaction of ions with ethanol molecules N-H⋯O-H(O)⋯π. The compound is characterized by IR and luminescence
spectra. At room temperature, the emission intensity grows with time of exposure to UV irradiation.
Original Russian Text Copyright ? 2008 by T. M. Polyanskaya, E. A. Il’inchik, V. V. Volkov, M. K. Drozdova, O. P. Yur’eva,
and G. V. Romanenko
__________
Translated from Zhurnal Strukturnoi Khimii, Vol. 49, No. 3, pp. 512–521, May–June, 2008. 相似文献
14.
R.W. WinterS.W. Winner D.A. PrestonJ. Mohtasham J.A. SmithG.L. Gard 《Journal of fluorine chemistry》2002,115(1):101-105
Preparation of the following new m-SF5CF2CF2C6H4X derivatives has been achieved: X=N3(2), Br(3), OC(O)CHCH2(4), CHCH2(5). The compounds were characterized by their respective IR, NMR, mass spectra (MS) and high resolution mass spectrometry (HRMS). An improved yield of SF5(CF2)2C6H5 (1) is also reported along with the synthesis of the polyacrylate (6) and polystyrene (7) from their respective monomers. 相似文献
15.
V. A. Maksakov N. V. Pervukhina N. V. Podberezskaya M. Yu. Afonin V. A. Potemkin V. P. Kirin 《Journal of Structural Chemistry》2008,49(5):894-900
The crystal structure of the Os3(μ,η2-O=CC6H5)(η3-C3H5)(CO)9 cluster synthesized by the reaction of the (μ-H)Os3(μ-O=CC6H5)(CO)10 complex with allylamine in chloroform was determined by X-ray analysis. Prolonged storage of the reaction mixture led to
N-C bond cleavage in allylamine and η3-addition of the allyl fragment at one of the Os atoms (Os-C 2.246 ?, 2.248 ?, and 2.273 ?). The unit cell parameters of the
complex are a = 9.494(1) ?, b = 10.479(1) ?, c = 12.474(2) ?, α = 84.55(1)°, β = 70.08(1)°, γ = 70.72(1)°, V = 1255.8(4), ?3, space group P
, Z = 2; C19H10O10Os3; d
calc = 2.922 g/cm3, 3085 I
hkl
> 2σ
I
of 3611 collected reflections; R = 0.0252. The structure of Os3(μ,η2-O=CC6H5)(η3-C3H5)(CO)9 is molecular. The plane of the Os3 triangle and the OsCOOs plane are connected according to the “butterfly” principle with an angle of 103.4° between them.
The Os-Os distances in the cluster core vary from 2.836(1) ? to 2.844(1) ?; the Os-Ccarb distances are 1.88(1)–1.97(1) ?; the distances to the atoms of the bridging ligands are Os-C 2.11(1) ?, Os-O 2.14(1) ?; the
O-C bridging bond is 1.24(1) ?. of the Os3(μ,η2-O=CC6H5)(η3-C3H5)(CO)9 triosmium cluster were studied theoretically. The potential curve of the internal rotation of the allyl ligand relative to
the Os(1)-C(9) bond was determined. The rotation barrier of the allyl ligand in crystal relative to the Os(1)-C(9) bond is
8.38 kJ/mol, and the rotation of the ligand is not hindered. The effects of the intra-and intermolecular interactions on the
conformation state of the cluster complex are considered.
Original Russian Text Copyright ? 2008 by V. A. Maksakov, N. V. Pervukhina, N. V. Podberezskaya, M. Yu. Afonin, V. A. Potemkin,
and V. P. Kirin
__________
Translated from Zhurnal Strukturnoi Khimii, Vol. 49, No. 5, pp. 926–932, September–October, 2008. 相似文献
16.
Pavel V. Ivchenko Ilya E. Nifant’ev Andrei V. Churakov 《Journal of organometallic chemistry》2011,696(10):1931-1934
Friedel-Crafts cycloalkylation of fluorene with 1,4-dichlorobutane has been studied in different conditions. This reaction allows to obtain the product of exhausting fluorene alkylation, hexadecahydrotetrabenzo[a,c,d,f]fluorene - perspective η5 ligand. The simplest zirconocene has been synthesized and its structure has been confirmed by X-ray diffraction analysis. The molecule of this compound possesses skewed conformation of metallocene fragment with the phenylene moiety of fluorenyl ligand oriented towards the front side of metallocene wedge. 相似文献
17.
W. -T. Chen 《Russian Journal of Inorganic Chemistry》2009,54(8):1230-1235
A novel inorganic-organic hybrid complex, [Nd [Nd (C6NO2H5)3(H2O)2]2n
· (nH5O2)(nHgCl5)(2nHgCl4) · (nH2O)(1), was obtained by hydrothermal reactions and structurally characterized by X-ray diffraction. The unit cell parameters are
as follows: a = 9.579(1), b = 21.462(2), c = 15.801(1) ?, β = 102.339(6)ℴ, V = 3173.5(5) ?3, Z = 4, space group P21/c. The crystal structure analysis reveals that the title complex is characteristic of a novel polycationic [Nd(C6NO2H5)3(H2O)2]2n
6n+ one-dimensional chain-like structure. Photoluminescent investigation shows that the title complex displays strong emission
in blue region, which is attributed to the intraligand π-π*-transition of nicotinic ligands. Optical absorption spectra of
1 reveal the presence of an optical gap of 3.45 eV.
The article is published in the original. 相似文献
18.
E. A. Mainicheva D. G. Samsonenko O. A. Gerasko V. P. Fedin 《Russian Journal of Coordination Chemistry》2009,35(12):908-911
Crystals of the tetranuclear complex [Fe4O2(H2O)10(C5H5NCOO)4](NO3)8 · 2H2O are obtained by the slow evaporation of an aqueous solution of iron(III) nitrate and isonicotinic acid. According to the
X-ray diffraction data, four metal atoms lie in the same plane and together with two μ3-O oxygen atoms form the fragment [Fe4(μ3-O)2]10+. The [Fe4O2(H2O)10(C5H5NCOO)4]8+ cation has been obtained and structurally characterized for the first time. 相似文献
19.
The cyclopentadienylchromium carbonyl thiocarbonyls Cp2Cr2(CS)2(CO)n (n = 4, 3, 2, 1) have been studied by density functional theory using the B3LYP and BP86 functionals. The lowest energy Cp2Cr2(CS)2(CO)4 structure can be derived from the experimentally characterized unbridged Cp2Cr2(CO)6 structure by replacing the two terminal carbonyl groups furthest from the Cr-Cr bond with two terminal CS groups. The two lowest energy Cp2Cr2(CS)2(CO)3 structures have a single four-electron donor η2-μ-CS group and a formal Cr-Cr single bond of length ∼3.1 Å. In contrast to the carbonyl analogue Cp2Cr2(CO)5 these Cp2Cr2(CS)2(CO)3 structures are viable with respect to disproportionation into Cp2Cr2(CS)2(CO)4 and Cp2Cr2(CS)2(CO)2 and thus are promising synthetic targets. The lowest energy Cp2Cr2(CS)2(CO)2 structures have all two-electron donor CO and CS groups and short CrCr distances around ∼2.3 Å suggesting the formal triple bonds required to give the chromium atoms the favored 18-electron configurations. These Cp2Cr2(CS)2(CO)2 structures are closely related to the known structure for Cp2Cr2(CO)4. In addition, several doubly bridged structures with four-electron donor η2-μ-CS bridges are found for Cp2Cr2(CS)2(CO)2 at higher energies. The global minimum Cp2Cr2(CS)2(CO) structure is a triply bridged triplet with a CrCr triple bond (2.299 Å by BP86). A higher energy singlet Cp2Cr2(CS)2(CO) structure has a shorter Cr-Cr distance of 2.197 Å (BP86) suggesting the formal quadruple bond required to give each chromium atom the favored 18-electron configuration. 相似文献
20.
Quantitative IR investigation of solid-state [Co(NH3)5ONO]XY[Co(NH3)5NO2]XY (XY=Cl2, Br2, I2, (NO3)2 Cl; NO3) linkage isomerization in KBr pellets has shown the kinetics to depend upon the outer-sphere anion. The red shift of the 5(ONO) band during isomerization is a linear function of transformation degree. 相似文献