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邻苯二硫酚桥联双核双氮过渡金属配合物N—N键活化规律的理论研究 被引量:9
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作者 张益伟 马雪璐 +1 位作者 张欣 雷鸣 《化学学报》 SCIE CAS CSCD 北大核心 2016年第4期340-350,共11页
采用密度泛函理论方法研究了具有仿生固氮结构的两类化合物[Cp*Fe(μ-η^2η^2bdt)(μ-η^1η^1Me N=NMe)Fe Cp*]以及[Cp*Fe(μ-SEt)2(μ-η^1η^1Me N=NMe)Fe Cp*]的90种不同结构,调变过渡金属中心,研究不同自旋态下(单... 采用密度泛函理论方法研究了具有仿生固氮结构的两类化合物[Cp*Fe(μ-η^2η^2bdt)(μ-η^1η^1Me N=NMe)Fe Cp*]以及[Cp*Fe(μ-SEt)2(μ-η^1η^1Me N=NMe)Fe Cp*]的90种不同结构,调变过渡金属中心,研究不同自旋态下(单重态和三重态)具有side-on或end-on配位键型的双核双氮过渡金属配合物,基于计算结果分析了BDT(邻苯二硫酚)和乙基类型配体的不同过渡金属配合物活化双氮的程度.研究结果表明,N—N键活化程度与配合物过渡金属中心所在周期存在密切关系,更高周期对双氮的活化程度更高,同周期金属过渡金属配合物对N—N键的活化程度从第四副族至第八族呈现折线型下降,同时,过渡金属中心的外层价电子数的奇偶性对双氮的活化程度具有一定影响.此外,side-on键型对双氮的活化程度要高于end-on键型,具有不同基团的同种骨架配体对N—N键的活化能力没有明显区别。 展开更多
关键词 过渡金属配合物 N—N键活化 金属调变 邻苯二硫酚桥联配体 配位键型
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A thermally tunable terahertz bandpass filter with insulator- metal phase transition of VO_2 thin film
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作者 李伟 常胜江 +2 位作者 王湘晖 林列 白晋军 《Optoelectronics Letters》 EI 2014年第3期180-183,共4页
A terahertz bandpass filter with the sandwich structure consisting of thermally tunable vanadium dioxide(VO2) thin film,silica substrate and subwavelength rectangular Cu hole arrays is designed and theoretically analy... A terahertz bandpass filter with the sandwich structure consisting of thermally tunable vanadium dioxide(VO2) thin film,silica substrate and subwavelength rectangular Cu hole arrays is designed and theoretically analyzed.The results show that the transmittance of the filter can be actively tuned by controlling the temperature of VO2,the narrow band terahertz(THz) waves with the transmittance from 85.2% to 10.5% can be well selected at the frequency of 1.25 THz when the temperature changes from 50 ℃ to 80 ℃,and the maximum modulation depth of this terahertz bandpass filter can achieve 74.7%. 展开更多
关键词 Modulation Thin films
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Research Progress on Colossal Anisotropic Magnetoresistive Effect
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作者 Run-Wei Li 《Science Foundation in China》 CAS 2009年第1期39-42,共4页
Perovskite manganites show exotic functionalities due to the coupling between spin, charge, orbital and lattice, such as metal-insulator transition, colossal magnetoresistance ( CMR ) , charge-orbital order and phas... Perovskite manganites show exotic functionalities due to the coupling between spin, charge, orbital and lattice, such as metal-insulator transition, colossal magnetoresistance ( CMR ) , charge-orbital order and phase separation. Recently, an extraordinary anisotropic magnetoresistance ( AMR ) has been observed in perovskite manganite single crystals. The AMR value is about 2 orders larger than that of the conventional 3E transition metals and alloys, which is attributed to tunable metal-insulator transition temperature modulated by the magnetic field. This result provides a new route for exploring novel AMR materials and their applications. 展开更多
关键词 perovskite manganite METAL-INSULATORTRANSITION AMR
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