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31.
Thiourea compounds are excellent agents of bioactive substance. A number of biological activities are associated with substituted thiourea derivatives. A survey of literature reveals that some work has been reported on benzoylthiourea, which has found plenty of applications as a facile and simple ligand in determination of trances of the transition metal and as an available starting material in preparation of a wide variety of metal complexes. In recent years,N-benzoyl-N'-(2-hydroxyethyl)-thiourea has attracted considerable attention as selective reagents for the liquid-liquid extraction and preconcentration of platinum group metals and its antifungle activity.As a part of our works in studying coordination behaviours of N-benzoyl-N'-(2-hydroxyethyl)-thiourea and its bioactivity, in view of these observations and in continuation of our previous works on it, the present work was reported on the crystal structure of N-benzoyl-N'-( 2-hydroxyethyl)-thiourea.The crystals structure in the monoclinic system and space group of P21/c of N-benzoyl-N'-(2-hydroxyethyl)- thiourea (C10H12N2O2S) was determined from single-crystal X-ray diffraction analysis, a = 17.083 (3) A, b = 4.5490 (10) A, c = 14.279 (3)A, a = 90.00°, a = 102.44(3)°, a = 90.00 °, Ⅴ = 1083.6 (4)A3, Z = 4, Dc = 1.375 Mg/m3, i (Mo Ka)= 0.280 mm-1, F(000) =472. The final R and u R are 0.0399 and 0.0881 for 783 observed reflections [Ⅰ>26(Ⅰ)].Fig. 1 shows the molecular crystal structure of N-benzoyl-N'-(2-hydroxyethyl)thiourea indicating that the carbonyl and thiocarbonyl moieties are pointing in approximate opposite directions. The six atoms in the ring structure hydrogen bonded are almost in one plane. The N(2)-H proton pendant arm extends to the carbonyl oxygen atom, forms hydrogen bond between them.The existence of hydrogen bond in benzoyl-thiourea molecular six-membered ring structure has significant implications on coordination properties, suggest the possibility of intramolecular hydrogen bond controlled coordination behaviors of these potentially bidentate ligands. In the coordination compound reported by Bourne et al.,cis-bis(N-benzoyl-N'-propylthiourea)dichloroplatinum(Ⅱ), the two ligand molecules bind to Pt(Ⅱ)via the sulfur atoms only, the carbonyl oxygen atom being locked into hydrogen bond similar to that in the free ligands. 相似文献
32.
Vincent Maurice 《Surface science》2005,581(1):88-104
STM, STS, LEED and XPS data for crystalline θ-Al2O3 and non-crystalline Al2O3 ultra-thin films grown on NiAl(0 0 1) at 1025 K and exposed to water vapour at low pressure (1 × 10−7-1 × 10−5 mbar) and room temperature are reported. Water dissociation is observed at low pressure. This reactivity is assigned to the presence of a high density of coordinatively unsaturated cationic sites at the surface of the oxide film. The hydroxyl/hydroxide groups cannot be directly identify by their XPS binding energy, which is interpreted as resulting from the high BE positions of the oxide anions (O1s signal at 532.5-532.8 eV). However the XPS intensities give evidence of an uptake of oxygen accompanied by an increase of the surface coverage by Al3+ cations, and a decrease of the concentration in metallic Al at the alloy interface. A value of ∼2 for the oxygen to aluminium ions surface concentration ratio indicates the formation of an oxy-hydroxide (AlOxOHy with x + y ∼ 2) hydroxylation product. STM and LEED show the amorphisation and roughening of the oxide film. At P(H2O) = 1 × 10−7 mbar, only the surface of the oxide film is modified, with formation of nodules of ∼2 nm lateral size covering homogeneously the surface. STS shows that essentially the valence band is modified with an increase of the density of states at the band edge. With increasing pressure, hydroxylation is amplified, leading to an increased coverage of the alloy by oxy-hydroxide products and to the formation of larger nodules (∼7 nm) of amorphous oxy-hydroxide. Roughening and loss of the nanostructure indicate a propagation of the reaction that modifies the bulk structure of the oxide film. Amorphisation can be reverted to crystallization by annealing under UHV at 1025 K when the surface of the oxide film has been modified, but not when the bulk structure has been modified. 相似文献
33.
J. T. Hoeft M. Polcik D. I. Sayago M. Kittel R. Terborg R. L. Toomes J. Robinson D. P. Woodruff M. Pascal G. Nisbet C. L. A. Lamont 《Surface science》2003,540(2-3):441-456
The local adsorption geometry of CO adsorbed in different states on Ni(1 0 0) and on Ni(1 0 0) precovered with atomic hydrogen has been determined by C 1s (and O 1s) scanned-energy mode photoelectron diffraction, using the photoelectron binding energy changes to characterise the different states. The results confirm previous spectroscopic assignments of local atop and bridge sites both with and without coadsorbed hydrogen. The measured Ni–C bondlengths for the Ni(1 0 0)/CO states show an increase of 0.16 ± 0.04 Å in going from atop to bridge sites, while comparison with similar results for Ni(1 1 1)/CO for threefold coordinated adsorption sites show a further lengthening of the bond by 0.05 ± 0.04 Å. These changes in the Ni–CO chemisorption bondlength with bond order (for approximately constant adsorption energy) are consistent with the standard Pauling rules. However, comparison of CO adsorbed in the atop geometry with and without coadsorbed hydrogen shows that the coadsorption increases the Ni–C bondlength by only 0.06 ± 0.04 Å, despite the decrease in adsorption energy of a factor of 2 or more. This result is also reproduced by density functional theory slab calculations. The results of both the experiments and the density functional theory calculations show that CO adsorption onto the Ni(1 0 0)/H surface is accompanied by significant structural modification; the low desorption energy may then be attributed to the energy cost of this restructuring rather than weak local bonding. 相似文献
34.
共振原子蒸气中激光脉冲的时空特性 总被引:4,自引:2,他引:2
在柱对称条件下,利用耦合的布洛赫-麦克斯韦方程,研究了激光脉冲在原子蒸气介质中的共振传播。考察了脉中在时空中的演化。数值计算结果表明激光脉冲在传播中,由于自感应透明与光波的衍射效应,表现出复杂的相干现象。 相似文献
35.
36.
W. Kockelmann M. Hofmann O. Moze S.J. Kennedy K.H.J. Buschow 《The European Physical Journal B - Condensed Matter and Complex Systems》2002,30(1):25-32
The element distributions and the magnetic ordering behaviour of compounds RNi10Si2 (R
=
Tb, Dy, Ho, Er, Tm) have been studied by neutron powder diffraction down to temperatures of 1.6 K. The compounds crystallize
in an ordered variant of the ThMn12 structure type in the tetragonal space group P4/nmm. An ordered 1:1 distribution of Ni and Si on sites 4d and 4e, respectively,
corresponds to a modulation vector [0, 0, 1] with respect to the space group I4/mmm of the ThMn12 structure. TbNi10Si2 orders antiferromagnetically below T
N
= 4.5 K with a magnetic propagation vector of [0, 0, 1/2]. The magnetic Tb moments, 8.97(2) /Tb atom at 1.6 K, are aligned along the c-axis. The Ni sites in TbNi10Si2 do not carry any ordered magnetic moments. The compounds with R
=
Dy, Ho, Er, and Tm are paramagnetic down to 1.6 K and 3.0 K, respectively.
Received 10 July 2002 / Received in final form 12 September 2002 Published online 29 October 2002 相似文献
37.
38.
The direct growth of ZnSe–CdSe solid solution onto metallic cathodes by electrodeposition from acidic aqueous sulphate solutions
is described. The plating process is studied by simple voltammetry, while the structure and composition of the electrolytic
deposits are investigated by X-ray diffraction. The experimental d-spacing values of the as-grown mixed lattice are compared to data from reference Zn
x
Cd1-x
Se pellets of standard composition, produced by a sintering method. The findings are supplemented with energy-dispersive X-ray
(EDX) elemental analysis. Thereupon, the variation of the mole fraction x in Zn
x
Cd1-x
Se, and the solid phase constitution of the electrodeposits are determined and correlated to the electrochemical conditions
of growth. The resulting films contain admixtures of CdSe compound and metallic Cd. 相似文献
39.
The impact of fabrication errors on a planar waveguide demultiplexer is analyzed based on an analytical method. The explicit
expression of the transfer function taking into account phase and amplitude errors is presented in order to analyze the loss
and crosstalk of the demultiplexer caused by fabrication errors. A basic requirement for the demultiplexer with a certain
crosstalk criterion can be easily obtained. Using an etched diffraction grating demultiplexer as an example, it is shown that
the analytical results have a good agreement with results from a numerical method. 相似文献
40.
用过氧聚钨酸(PPTA)水溶液,通过离心涂膜法在显微镜载玻片上制备了具有光滑表面且厚度为100nm的PPTA薄膜,利用PPTA薄膜在紫外光照下可研制光栅以及其它光学元件的薄膜材料,具有很高的利用价值。 相似文献