Crystal Structure of (1R,4R;1S,4S)2-Amino-3-Cyano-1,4-Diphenyl-2-Cyclopentene-1-ol

1INTRODUCTIONIntheearly1970'sthreegroupsofinvestigatorsL,~,'foundthatlow-valenttita-nium,preparedbythereactionofstrongreducingagentswithtitaniumtrichlorideortitaniumtetrachlorideintetrahydrofuran,canabstractoxygenfromketonesoraldehydes,leadingtotheforma-tionofolefins.Theinterestinthereactioninducedbylow--valenttitaniumreagentsisincreasingandalargenumberoffunctionalgroupscanbereduceds4-6).Recent-ly,wefoundthatthetitlecompoundisObtainedbycy-cllzatlonreactionof(3--oxo-1,3-diphenyl)propyl-pro…     

SYNTHESES OF THE SOLUBLE,HIGH MOLECULAR WEIGHT AND LADDERLIKE POLYPH ENYLSILSESQUIOXAN E AND COPOLYMETHYLPHENYLSILSESQUIOXANES BY PREAMMINOLYSIS METHOD

Soluble, high molecular weight (MW) and ladderlike polyphenylsilsesquioxane (LPPSQ) and its copolymers, ladderlike random and block copolymethyiphenylsilsesquioxanes(LR-PMPSQ and LB-PMPSQ)have been prepared by preamminolysis, hydrolysis and polycondensation reactions. The preparation method can be carried out easily at the temperature below 95℃with high yield of 95 %, instead of the conventional way by using high-boiling solvent and any reaction activator or by precipitation with methanol. Three kinds of ladderlike polymers have been characterized. The MW's of the polymers reached to 10~6 without noticeable gelling. The scheme for synthetic route has been proposed.     

氢原子在Ru(0001)表面的化学吸附

用密度泛函理论研究了氢原子的污染对于Ru(0001)表面结构的影响. 通过PAW(projector-augmented wave)总能计算研究了p(1×1)、p(1×2)、(3^(1/2)×3^(1/2))R30°和p(2×2)等几种氢原子覆盖度下的吸附结构, 以及在上述结构下Ru(0001)面fcc(面心立方)格点和hcp(六方密堆)格点的氢原子吸附. 所得结果表明, 在p(1×1)-H、p(1×2)-H、(3^(1/2)×3^(1/2))R30°-H和p(2×2)-H几种H原子覆盖度下, 以p(1×1)-H结构单个氢原子吸附能为最大. 在p(1×1)-H吸附结构下,由于氢原子吸附导致的Ru(0001) 表面第一层Ru 原子收缩的理论计算数值分别为-1.11%(hcp 吸附)和-1.55%(fcc 吸附), 因此实际上最有可能的情况是两种吸附方式都有一定的几率. 而实验中观察到的“清洁”Ru(0001)表面实际上是有少量氢原子污染的表面. 不同覆盖度和氢分压下氢原子吸附的污染对Ru(0001)表面结构有极大的影响,其表面的各种特性都会随覆盖度的不同而产生相应的变化.     

Synthesis and Crystal Structure of 3-（2-Hydroxy-phenyl）-5-（2-methylphenyl）-6-thoxycarbonyl-cyclohexen-2-one

1 INTRODUCTION The molecular assembly of one- or multi-dimen-sional aggregation by hydrogen bonds is now an im-portant subject of supramolecular chemistry and crys-tal engineering[1, . Supramolecular structures formed 2]via intermolecular hydrogen bonds X–H…X or C–H…X (X = O, Cl, N, et al.) are very common inorganic compounds[3~12], and they generally possessdifferent properties due to these hydrogen bonds. Concerning about the spectra of benzene-contai-ning…     

Crystal Structure of Trans-2-Amino-3-Cyano-4-(3',4'-Methylenedioxyphenyl)-1-Phenyl-2-Cyclopentene-r-1-ol

1INTRODUCTIONIntheearlyseventiesthreegroupsofinvestigators('--"establishedthatlow--va-lenttitanium,preparedbythereactionofstrongreducingagentsontitaniumtrichlo-rideortitaniumtetrachlorideintetrahydrofuran,canabstractoxygenfromketonesoraldehydes,leadingtotheformationofolefins.Anincreasinginterestinthereac-tioninducedbylow--valenttitaniumreagentsisobservedandalargenumberoffunc-tionalgroupscanbereducedt4--6).However,thereactionoflow-valenttitaniumreagentwith4,4--dicyano--1,3--diaryl--l-butano…     

杂化能带与电子-声子耦合的本征上限

本文用角动量分波表象的能带论方法研究了杂化导带的一般性质。得出了电子态密度和分波含量的一般关系式。发现引用一个径向波函数φ_l的“相位函数”y_l,可以方便地对球对称势场造成的相移和φ_l的对数微商作解析近似处理。在此基础上研究了电子-声子耦合中的系数η的性质。论证了η有一个“本征上限”,并估计了它的量级。讨论了影响η强弱的一般规律,与实验现象作了比较。指出提高导带角动量杂化程度,特别是提高d导带中的f分波含量,以至试图实现似f导带,可能是强化电子-声子耦合潜力较大的探索方向。 关键词：     

LF-拓扑空间的强拟紧性

本文将文[1]给出的拟紧概念推广到α-拓扑空间，证明了它是L-好的推广并且它对于正则闭子集是可遗传的．在LF-半正则空间中讨论了强拟紧集与强F紧集的等价性。     

DNA与中性红相互作用电化学和光谱研究

利用电化学和光谱方法研究中性红和DNA的相互作用,根据其循环伏安曲线和紫外-可见光谱,在pH=7.05缓冲体系中中性红与DNA发生了嵌插作用.     

低速非达西渗流储层产能评价

在低渗透油藏低速非达西渗流模型的基础上，应用具有启动压力影响的不稳定产能评价方法，实现了将地层参数代入相关方程计算产量随时间的变化规律及不稳定IPR曲线，对于工业油层预测了生产时间为180天时油井的极限产量(流压为0．101MPa时的产量)，对这类井的开发投产具有重要的指导意义。     

Ba0.8La0.2MnAl11O19催化剂制备及其甲烷燃烧活性的研究

用共沉淀法制备了Ba0 8La0. 2MnAl11O19催化剂,并借助XRD、BET和SEM技术对其进行了表征,利用微型反应系统测定了催化剂的甲烷燃烧催化活性,研究了不同空速、烷氧比、甲烷体积分数下Ba0. 8La0. 2MnAl11O19的活性.结果表明,当空速为150 000h-1、烷氧比为1 /6、甲烷体积分数为3%时,甲烷燃烧的催化活性最好,完全转化温度为760℃.