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排序方式: 共有242条查询结果,搜索用时 218 毫秒
1.
ABSTRACTDirect bandgap semiconductors are very essential to fulfil the demand for the advancement in optoelectronic devices. Therefore it is important to predict new potential candidates having such unique features. In current work, Sr3X2 (X=N, P, As, Sb and Bi) compounds have been reported for the first time by well trusted FP-APW+lo method. For the better prediction of the energy band gap, mBJ is used alongwith routine generalised gradient approximation (GGA). The results show small and direct energy band gaps at Γ-Γ symmetry points with magnitude in the range from 0.62?eV (Sr3P2) to zero energy band gap (Sr3Bi2). In partial density of state Sr-d state and X-p state are contributed in the band structure. The compounds show mostly covalent bonding nature. The frequecy dependent optical properties in the linear optical range are also investigated. 相似文献
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Saira Shahzadi Moazzam H. Bhatti Khadija Shahid Saqib Ali Saadia R. Tariq Mohammad Mazhar Khalid M. Khan 《Monatshefte für Chemie / Chemical Monthly》2002,133(8):1089-1096
Summary. Tributyltin(IV) derivatives of six different pharmaceutically active carboxylates were synthesized. The complexes were characterized
by different analytical techniques (elemental analysis; infrared, NMR, and mass spectroscopy). 119Sn NMR data were also recorded in six different coordinating and non-coordinating solvents. The antibacterial activities of
the compounds were tested using ten different bacteria relative to the reference drugs ampicillin and cephalexin.
Received September 20, 2001. Accepted (revised) December 6, 2001 相似文献
4.
Tahir AA Molloy KC Mazhar M Kociok-Köhn G Hamid M Dastgir S 《Inorganic chemistry》2005,44(25):9207-9212
Ba(dmae)2 (dmaeH=N,N-dimethylaminoethanol, C4H11NO) reacts with Co(acac)2 (acac=2,4-pentanedionate) to produce the trinuclear coordination complex [Ba2Co(acac)4(dmae)3(dmaeH)] in an 85% yield. Spectroscopic and single-crystal X-ray diffraction experiments indicate that the complex possesses a structure in which two barium atoms and a cobalt atom are bridged by acac and dmae groups. The barium centers are eight and nine coordinate with BaO7N and BaO7N2 coordination spheres while the cobalt is a more regular CoO5N octahedron. This 2:1 heterobimetallic molecular complex was investigated as precursor for the deposition of thin film by AACVD. The film was characterized by SEM and XRD. TGA shows that the complex starts thermal decomposition upon heating in nitrogen atmosphere at 105 degrees C to produce barium cobalt oxide material of a Ba2CoO3 composition with an orthorhombic structure. The synthetic approach detailed here represents a unique route to the formation of a heterobimetallic barium cobalt coordination complex. 相似文献
5.
S. Shahzadi K. Shahid S. Ali M. Mazhar K. M. Khan 《Journal of the Iranian Chemical Society》2005,2(4):277-288
A brief account is given of the synthesis, structural chemistry and the antibacterial, antifungal and cytotoxic effects of organotin complexes of 2-[(2,4-dichloroanilinocarbonyl)]benzoic acid. The unimolar and bimolar substitution products have been characterized by elemental analysis and spectral studies, including IR, 1H NMR, 13C NMR, 119Sn NMR, and mass spectra. The data support the binding of the oxygen atom to the tin atom in [R2Sn(OOCR’)2] and [R3Sn(OOCR’)] (R = Me, Bu, and Ph, R’ = 2-[(2,4-dichloroanilinocarbonyl)]benzoic acid). Based on these studies, with a coordination number of four, a distorted tetrahedral geometry has been proposed for the resulting derivatives in solution. The free ligand (R’/COOH) and its respective tin complexes were tested in vitro against a number of microorganisms to assess their biocidal properties and to correlate them with the structures of the derivatives. 相似文献
6.
Twelve new germanium substituted diphenyltin dipropionates with the general formula (R1GeCHR2‐CHR3COO)2SnPh2 where R1 = N(CH2CH2O)3, (C6H5)3 and (CH3C6H4)3, R2 = H, CH3, C6H5, p‐CH3C6H4, p‐CH3OC6H4, p‐ClC6H4, and R3 = H, CH3 have been synthesized by the reaction of diphenyltin oxide with a germanium substituted propionic acid. All the compounds were characterized by elemental analysis, IR, multi‐nuclear (1H, 13C, 119Sn) NMR and Mössbauer spectroscopies as well as mass spectrometry. The in vitro antibacterial activity of selected compounds is also reported. 相似文献
7.
Mehmood A Malik A Anis I Khan PM Riaz M Makhmoor T Choudhary MI 《Natural product letters》2002,16(6):371-376
Two new oleanane triterpenes; 2alpha,3alpha,24-trihydroxyolean-12-ene-28,30-dioic acid ([structure: see text]) and 2alpha,3alpha,24,28-tetrahydroxyolean-12-ene ([structure: see text]) have been isolated from the roots of Atropa acuminata. Anti-oxidant p-hydroxyphenethyl trans-ferulate ([structure: see text]), beta-sitosterol-3-O-beta-D-glucopyranoside ([structure: see text]) and oleanolic acid ([structure: see text]) have also been reported for the first time from this species. The structures were determined by spectroscopic studies including 2D-NMR. 相似文献
8.
Muhammad Ali Ehsan Muhammad Adil Mansoor Muhammad Mazhar Asif Ali Tahir Mazhar Hamid K. G. Upul Wijayantha 《应用有机金属化学》2012,26(9):493-498
A single molecular heterobimetallic complex, [Co2Ti(μ3‐O)(TFA)6(THF)3] (1) [TFA = trifluoroacetate, THF = tetrahydrofuran], was synthesized, structurally and spectroscopically characterized and implemented as a single‐source precursor for the preparation of CoTiO3–CoO composite thin films by aerosol‐assisted chemical vapour deposition (AACVD). The precursor complex was prepared by interaction of Co(OAc)2.4H2O [OAc = (CH3COO?)] with Ti(iso‐propoxide)4 in the presence of trifluoroacetic acid in THF, and was analysed by melting point, CHN, FT‐IR, single‐crystal X‐ray diffraction and thermogravimetric analysis. The precursor complex thermally decomposed at 480 °C to give a residual mass corresponding to a CoTiO3–CoO composite material. Good‐quality crystalline CoTiO3–CoO composite thin films deposited at 500 °C by AACVD and characterized through powder X‐ray diffraction and scanning electron microscopy/energy‐dispersive X‐ray spectroscopy show that the crystallites have a rose‐flower‐like morphology with an average petal size in the range of 2–6 µm. Copyright © 2012 John Wiley & Sons, Ltd. 相似文献
9.
Khalid Mujasam Batoo Khalid Mehmood Ur Rehman 《Chinese Journal of Physics (Taipei)》2018,56(1):108-116
A series of Sm-CoMn substituted hexagonal ferrites with chemical composition of Sr0.85-xCa0.15SmxFe12-y(Co0.5Mn0.5)yO19 (0.00?≤?x?≤?0.60, (0.00?≤?y?≤?0.50) were synthesized by the solid-state reaction method. Microstructure and magnetic properties of the hexaferrites have been investigated by the X-ray diffraction, field emission scanning electron microscopy and a permanent magnetic measuring system. A single magnetoplumbite phase is exhibited in the hexaferrites with the substitutiom of Sm (0.00?≤?x?≤?0.12) and CoMn (0.00?≤?y?≤?0.10) contents. For the hexaferrites containing Sm (x?≥?0.24) and CoMn (y?≥?0.20), impurity phases are observed in the structure. The FESEM micrographs exhibit that the hexaferrites with different Sm-CoMn contents have formed hexagonal structures and the grain size of the hexaferrites remains unchanged with increasing Sm-CoMn content. The remanence (Br), Hk/Hcj ratios, and maximum energy product [(BH)max] decrease with increasing Sm-CoMn content (0.00?≤?x?≤?0.60, (0.00?≤?y?≤?0.50). Instrinsic coercivity (Hcj) and magnetic induction coercivity (Hcb) increase with increasing Sm-CoMn content (0.00?≤?x?≤?0.12, 0.00?≤?y?≤?0.10), and then decrease with increasing Sm-CoMn content (0.12?≤?x?≤?0.36, 0.10?≤?y?≤?0.30), while for the hexaferrites with Sm (x?≥?0.36) and CoMn (y?≥?0.30), with increasing Sm-CoMn content, Hcj increases and Hcb decreases. 相似文献
10.
Abbas S. Imtiaz-ud-Din Mehmood M. Raheel A. Ayub R. Zahid M. Tahir M. N. 《Russian Journal of Coordination Chemistry》2021,47(12):891-902
Russian Journal of Coordination Chemistry - A series of ferrocenyl substituted hydrazones (I–VII) derived from ferrocene carboxaldehyde and substituted hydrazides have been prepared and... 相似文献