Vertical ionization energies of halogen anions in solution

来源 :中国科学：化学英文版 | 被引量 : 0次 | 上传用户：yangxzguoli

【摘要】

：

Based on the constrained equilibrium state theory,the nonequilibrium solvation energy is derived in the framework of the continuum model.The formula for spectra

【出处】

：

中国科学：化学英文版

【发表日期】

：

2010年6期

【关键词】

：

VERTICAL IONIZATION energy spectral SHIFT CONSTRAINED equilibrium state vertical

【基金项目】

：

supported by the National Natural Science Foundation of China (20873087 and 20903067)

下载到本地 , 更方便阅读

下载此文赞助VIP

声明 : 本文档内容版权归属内容提供方 , 如果您对本文有版权争议 , 可与客服联系进行内容授权或下架

论文部分内容阅读

Based on the constrained equilibrium state theory,the nonequilibrium solvation energy is derived in the framework of the continuum model.The formula for spectral shift and vertical ionization energy are deduced for a single sphere cavity with the point ch

其他文献

Charge doping effect on σ-π conjugated copolymers

做费用的效果在上几何并且有机硅 oligomers nSi x (C=C ) 的电子结构 y + 用密度被学习了功能的理论。做费用的罐头显著地降低刺激精力。Interchain 洞跳跃主要在结合的单位

期刊

掺杂电荷共轭共聚物密度泛函理论激发能量结构重排电子结构organosilicon oligomers theoretical calculati

Sunlight responsive photocatalysts：AgBr/ZnO hybrid nanomaterial

新奇高度有效的导致日光的 AgBr/ZnO 混合 nanophotocatalyst 被综合了，它被象 X 光检查那样的不同技术描绘衍射(XRD ) ， X 光检查光电子光谱学(XPS ) ，传播电子显微镜学(TEM )

期刊

光催化剂溴化银氧化锌纳米材料混合光响应X-射线光电子能谱透射电子显微镜AgBr/ZnO hybrid materials sunlight ph

Investigation of radionuclide ^63Ni（II） sequestration mechanisms on mordenite by batch and EXAFS sp

mordenite 上的放射性核种 63Ni (II ) 的机制作为老化的功能预定的吸着行为和显微镜的隐遁，离子的力量，起始的 63Ni (II ) 集中，稳固的内容和共存的电解质离子被批和 EXAFS 技

期刊

EXAFS技术丝光沸石放射性核素机制NI(OH)2吸附行为离子强度扣押mordenite – 63Ni(II) – aging time – i

Special characteristics of fluorescence and resonance Rayleigh scattering for cadmium telluride nano

CdTe nanocrystals(CdTe NCs) were achieved by reaction of CdCl2 with KHTe solution and were capped with sodium mercaptoacetate.The product was detected by transm

期刊

CdTenanocrystalFLUORESCENCECHARACTERISTICSresonanceRAYLEIGHscatteringAMIK

SiO/CNTs:A new anode composition for lithium-ion battery

A new anode composition SiO/CNTs (carbon nanotubes) has been prepared by chemical vapor deposition (CVD) method. The results of scanning electron microscopy (SE

期刊

SiO/CNTsCVDCOMPOSITIONANODELI-IONBATTERYSiO/CNTs CVD composition anode Li-

M@B<sub>9</sub> and M@B<sub>10</sub> molecular wheels containing planar nona

A density functional and ab initio theory investigation on M@B9 and M@B10 molecular wheels containing planar nona-and deca-coordinate heavy group 11, 12 and 13

期刊

PLANARhyper-coordinateHEAVYMETALSdensityfunctionaltheoryabinitioGEOMETR

Comparison of magnetic properties of DNA-cetyltrimethyl ammonium complex with those of natural DNA

我们准备了 DNA-cetyltrimethyl 铵建筑群，以及一样的建筑群与稳定的器官的自由激进分子一起设置了，并且由电子学习了他们的磁性磁性的回声(EMR ) 光谱学并且由在一台超导的量

期刊

十六烷基三甲基铵双链DNA天然磁学性质超导量子干涉器件有机自由基CD光谱电子病历natural DNA DNA-CTMA DNA-CTMA-

Functional-template directed self-assembly(FTDSA) of mesostructured organic-inorganic hybrid materia

Since the discovery of a surfactant directed self-assembly approach for the fabrication of mesoporous silica in 1992,increasing attention has been focused on th

期刊

MESOPOROUSmaterialsSELF-ASSEMBLYORGANIC-INORGANICHYBRIDSmesoporous material

Detection of the critical micelle concentration of cationic and anionic surfactants based on aggrega

We report a fluorescence 'turn-on' method to detect the critical micelle concentration (CMC) of surfactants. This method works well for both cationic an

期刊

aggregation-inducedemissionCRITICALMICELLEconcentrationFLUORESCENCEPROBEa

Quantum chemical study on insertion and abstraction reaction of dichlorocarbene with methyl alcohol

The insertion and abstraction reaction mechanisms of singlet and triplet CCl2 with CH3MH (M=O, S) have been studied by using the DFT, NBO and AIM methods. The g

期刊

CARBENEalcoholDFTNBOAIMINSERTIONREACTIONABSTRACTIONREACTIONcarbene alco

Vertical ionization energies of halogen anions in solution

其他学术论文