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Synthesis,Crystal Structure and Spectroscopic Properties of 1,2-Benzothiazine Derivatives:An Experimental and DFT Study 被引量:1
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作者 muhammad Nadeem Arshad tariq Mahmood +7 位作者 ATHER Faroque Khan muhammad Zia-Ur-Rehman ABDULLAH M.Asiri ISLAM Ullah Khan RIFFAT-Un-Nisa KHURSHID Ayub AZAM Mukhtar muhammad tariq saeed 《Chinese Journal of Structural Chemistry》 SCIE CAS CSCD 2015年第1期15-25,共11页
1,2-Benzothiazine derivatives methyl 3-methoxy-4-oxo-3,4-dihydro-2H-benzo[e] [1,2]thiazine-3-carboxylate 1,1-dioxide(1) and methyl 2-ethyl-3-hydroxy-4-oxo-3,4-dihydro-2Hbenzo[e][1,2]thiazine-3-carboxylate 1,1-dioxid... 1,2-Benzothiazine derivatives methyl 3-methoxy-4-oxo-3,4-dihydro-2H-benzo[e] [1,2]thiazine-3-carboxylate 1,1-dioxide(1) and methyl 2-ethyl-3-hydroxy-4-oxo-3,4-dihydro-2Hbenzo[e][1,2]thiazine-3-carboxylate 1,1-dioxide(2) were synthesized, and characterized by spectroscopic techniques; 1H-NMR and infrared(IR) spectroscopy. Crystals of 1 and 2 were grown by slow evaporation of methanol and ethyl acetate, respectively and their crystal structures were investigated by single-crystal X-ray diffraction analysis. Geometric properties were calculated by the B3 LYP method of density functional theory(DFT) at the 6-31G+(d) basis set to compare with the experimental data. Simulated properties were found in strong agreement with the experimental ones. Intermolecular forces have also been modeled in order to investigate the strength of packing and strong hydrogen bonding was observed in both compounds 1 and 2. Electronic properties such as Ionization Potential(IP), Electron Affinities(EA) and coefficients of the highest occupied molecular orbital(HOMO) and the lowest unoccupied molecular orbital(LUMO) of com- pounds 1 and 2 were simulated for the first time. 展开更多
关键词 1 2-benzothiazine B3LYP/6-31+G (d) density functional theory (DFT) HUMO-LUMO crystal structures
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Effect of displacement on resistance and capacitance of polyaniline film
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作者 Khasan Sanginovich Karimov muhammad tariq saeed +1 位作者 Fazal Ahmad Khalid Syed Abdul Moiz 《Chinese Physics B》 SCIE EI CAS CSCD 2011年第4期204-208,共5页
This paper investigates the properties of displacement sensors based on polyaniline (PANI) films. About 1 wt% of PANI micropowder is mixed and stirred in a solution of 90 wt% water and 10 wt% alcohol at room tempera... This paper investigates the properties of displacement sensors based on polyaniline (PANI) films. About 1 wt% of PANI micropowder is mixed and stirred in a solution of 90 wt% water and 10 wt% alcohol at room temperature. The films of PANI axe deposited from solution by drop-casting on Ag electrodes, which are preliminary deposited on glass substrates. The thicknesses of the PANI films are in the range of 20 μm-80 μm. A displacement sensor with polyaniline film as an active material is designed and fabricated. The investigations showed that, on average, the AC resistance of the sensor decreases by 2 times and the capacitance accordingly increases by 1.6 times as the displacement changes in the range of 0 mm-0.5 mm. The polyaniline is the only active material of the displacement sensor. The resistance and capacitance of the PANI changes under the pressure of spring and elastic rubber, and this pressure is created by the downward movement of the micrometer. 展开更多
关键词 POLYANILINE DISPLACEMENT SENSOR resistance and capacitance
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Photoconductive properties of organic-inorganic Ag/p-CuPc/n-GaAs/Ag cell
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作者 Khasan Sanginovich Karimov muhammad tariq saeed +1 位作者 Fazal Ahmad Khalid Zioda Mirzoevna Karieva 《Journal of Semiconductors》 EI CAS CSCD 北大核心 2011年第7期1-4,共4页
A thin film of copper phthalocyanine(CuPc),a p-type semiconductor,was deposited by thermal evaporation in vacuum on an n-type gallium arsenide(GaAs) single-crystal semiconductor substrate.Then semitransparent Ag t... A thin film of copper phthalocyanine(CuPc),a p-type semiconductor,was deposited by thermal evaporation in vacuum on an n-type gallium arsenide(GaAs) single-crystal semiconductor substrate.Then semitransparent Ag thin film was deposited onto the CuPc film also by thermal evaporation to fabricate the Ag/p-CuPc /n-GaAs/Ag cell.Photoconduction of the cell was measured in photoresistive and photodiode modes of operation. It was observed that with an increase in illumination,the photoresistance decreased in reverse bias while it increased in forward bias.The photocurrent was increased in reverse bias operation.In forward bias operation with an increase in illumination,the photocurrent showed a different behavior depending on the voltage applied. 展开更多
关键词 ORGANIC-INORGANIC thin film photoconductive cell copper phthalocyanine gallium arsenide
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