简介:Inthispaper,theenergy,equilibriumgeometry,andharmonicfrequencyofthegroundelectronicstateofPO2arecomputedusingtheB3LYP,B3P86,CCSD(T),andQCISD(T)methodsinconjunctionwiththe6-311++G(3df,3pd)andcc-pVTZbasissets.AcomparisonbetweenthecomputationalresultsandtheexperimentalvaluesindicatesthattheB3P86/6-311++G(3df,3pd)methodcangivebetterenergycalculationresultsforthePO2molecule.ItisshownthatthegroundstateofthePO2moleculehasC2vsymmetryanditsgroundelectronicstateisX2A1.TheequilibriumparametersofthestructureareRPO=0.1465nm,∠OPO=134.96°,andthedissociationenergyisEd=19.218eV.Thebentvibrationalfrequencyν1=386cm-1,symmetricstretchingfrequencyν2=1095cm-1,andasymmetricstretchingfrequencyν3=1333cm-1areobtained.Onthebasisofatomicandmolecularreactionstatics,areasonabledissociationlimitforthegroundstateofthePO2moleculeisdetermined.ThentheanalyticpotentialenergyfunctionofthePO2moleculeisderivedusingmany-bodyexpansiontheory.ThepotentialcurvescorrectlyreproducetheconfigurationsandthedissociationenergyforthePO2molecule.
简介:The policy’s standardization will increase the policy effectiveness and government executive ability. ,4.4.1 To elevate the policy’s standardization. This will increase the policy ability and government executive ability. The standardization includes three factors,elevating the ability of government public policy will strengthen it. The measures are following. 4.1 Based on the perspective of the process of policy 4.1.1 The ability of confirming and programming the policy problems is the premise of the ability of government crisis management. Accurately grasping the problems will be helpful for the pertinence and effect of the government activity. The pertinence will help to use the policy (government) resources reasonably and to bring to the policy effect adequately and so elevating the government executive ability. 4.1.2 The key of elevation the government executive ability is elevation the policy executive ability. The policy execution is relative to the realization of government’s intention and purpose and relative to government executive ability. In another word
简介:LianPoBystaffreporterHUOJLANYINGAnangryLianPofacesLinXiangruTHEFIGUREwewillbeexamininginthisissueisLianPeriod(475-221B.C.)and...
简介:一篇小说荧光灯为H2PO4-基于碳dots/Fe3+被设计并且制作合成。碳点被一个确定的一个壶综合热水的方法并且由传播电子显微镜,X光检查衍射计,紫外力的吸收分光计和荧光分光光度计描绘了。碳dots/Fe3+合成被碳点和FeCl3,的水的混合获得,它的荧光性质被荧光分光光度计描绘。碳点的荧光被水的Fe3+阳离子熄灭,导致碳dots/Fe3+的低荧光紧张合成。在另一方面,H2PO4-由化学反应减少了Fe3+的集中并且提高了碳dots/Fe3+的荧光合成。Stern-Volmer方程被介绍描述在合成的碳dots/Fe3+和H2PO4-,和好线性(R2=0.997)在H20.4-12公里的PO4-集中。
简介:
简介:srzn2(PO4)2:在大气中的高温固相反应合成Sm3+荧光粉。srzn2(PO4)2:Sm3+荧光粉是通过紫外光有效激发(UV)和蓝色光,和发射峰被分配到2-6h54G5//2过渡(563nm),2-6h74G5//2(597nm和605nm)和2-6h94G5//2(644nm和653nm)。对srzn2发射强度(PO4)2:Sm3+的Sm3+浓度的影响,其浓度猝灭效应srzn2(PO4)2:钐也观察到。当掺杂离子(=Li,Na和K)离子的发光强度,srzn2(PO4)2:Sm3+可以明显增强。在国际照明委员会(CIE)的srzn2色坐标(PO4)2:Sm3+定位在橙红色的区域。结果表明,该荧光粉具有潜在的应用在白光发光二极管(LED)。
简介:Thecombinationofboth4,4′-bipyridine(4,4′-bipy)anddihydrogenphosphateanionligandswithcopper(Ⅱ)resultsintheformationofanovellayeredcompoundCu(4,4′-bipy)2(H2PO4)2(H2O)2.ThecrystalstructurecomprisesdiscreteneutralCu(4,4′-bipy)2(H2PO4)2(H2O)2units.Thecopperatom,locatedonthecrystallographictwofoldaxis,iscoordinatedwithtwonitrogenatomsofterminal4,4′-bipyligandsandtwowatermoleculesattheequatorialpositions,andtwodihydrogenphosphateoxygenatomsattheaxialpositions,forminganelongatedoctahedron.Thecomplexisatwo-dimensionaldistortedrhomboidalnetworkpossessingtwokindsofrhomboidswithdimensionsofca.1.6792nm×0.3203nmand1.2778nm×0.3198nm,respectively.Thetwo-dimensionalnetworksarestackedparallellyoneachotheralongc-axistogiveanextendedthree-dimensionalchannelnetworkwithaninterlayerdistanceofca.0.5030nm.Crystaldata:triclinic,spacegroupP-1,a=1.0253(2)nm,b=1.4501(3)nm,c=0.79715(16)nm,α=97.91(3)°,β=90.99(3)°,γ=85.54(3)°,V=1.1703(4)nm3,Z=2,R=0.0892,wR=0.2451.
简介:通过固相法和溶胶-凝胶法合成不同碳含量的磷酸钒锂/C正极材料,研究了作为碳源的蔗糖和柠檬酸添加量对产物电化学性能的影响.实验发现,在固相合成方法中,添加量高于10.5%(质量百分数)时进一步增加蔗糖添加量后产物放电容量变化不明显.但是在溶胶-凝胶合成方法中,柠檬酸的添加量存在最佳值,高于或者低于此最佳数值都会引起产物容量的降低,这是与固相合成技术的一个明显不同之处.另一点不同之处在于对于溶胶凝胶合成的样品,最佳添加量与产物的工作电流有关.本实验条件下,在0.2C倍率以下柠檬酸与氢氧化锂最佳比值为1∶3,但是在放电倍率高于0.5C时最佳比值为1∶2.
简介:
简介:韩国的SKC集团最近宣布将在2008年建成一座100kt/a级的环氧丙烷(PO)装置。就目前来说,SKC不向韩国国外出口PO,该国最大的聚醚生产厂商锦湖石化公司时SKC在国内最大的PO客户。但锦湖也是SKC在多元醇生产方面的竞争对手。SKC是韩国唯一的PO厂商,目前能力为180kt/a。如果SKC增加多元醇产量,与锦湖的关系就会紧张。因此当2008年SKC的PO产量增加时,它必须采取某种新的策略。一种办法是生产聚醚多元醇以外的PO下游产品,例如溶剂级的丙二醇甲醚。PO在韩国国内市场上的价格高于其出口价格,而且SKC目前还不能充分满足所有的国内需求。