Theoretical study on homoleptic mononuclear and binuclear ruthenium carbonyls Ru（CO）n<

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

【摘要】

：

Homoleptic mononuclear and binuclear ruthenium carbonyls Ru(CO)n(n=3―5) and Ru2(CO)n(n=8,9) have been investigated using density functional theory.Sixteen isom

【出处】

：

中国科学：化学英文版

【发表日期】

：

2009年11期

【关键词】

：

dinuclear ruthenium CARBONYLS DFT theoretical study

【基金项目】

：

Supported by the National Natural Science Foundation of China (Grant Nos. 20873045 and 20973066)

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

Homoleptic mononuclear and binuclear ruthenium carbonyls Ru(CO)n(n=3―5) and Ru2(CO)n(n=8,9) have been investigated using density functional theory.Sixteen isomers are obtained.For Ru(CO)5,the lowest-energy structure is the singlet D3h trigonal bipyramid.S

其他文献

Effects of temperature and sodium carboxylate additives on mineralization of calcium oxalate in sili

［1］Ouyang, J. M., Yao, X. Q., Su, Z. X. et al., Simulation of calcium oxalate stone in Vitro, Science in China, Ser. B, 2003, 46(3):234-242.［2］Xu, S. H., Chen, J. Q

期刊

钙盐钠羧化物胶化尿演算结晶化BIOMINERALIZATIONcalcium oxalatesodium carboxylategelurinary

Density function of 3′-azido-3′-deoxythymidine

The internal rotation potential energy curve around the glycosidic bond in 3′-azido-3′- deoxythymidine (AZT) molecule, an HIV-1 reverse transcriptase inhibito

期刊

AZTINTERNALrotationquantumchemistrydensityfunctionalmethod.AZT intern

Morphological structures of poly(vinylidene fluoride)/ montmorillonite nanocomposites

Poly(vinylidene fluoride) (PVDF)/montmorillonite (MMT) nanocomposites were prepared by melt blen- ding a kind of organically modified montmorillonite with PVDF.

期刊

organicallyMODIFIEDmontmorillonitenanocompositeCRYSTALLINEstructureorgan

Metals in water and surface sediments from Henan reaches of the Yellow River,China

The concentrations of Cd,Cr,Cu,Ni,Pb and Zn were determined in the water and surface sediments from the Henan reaches of the Yellow River.Twenty-three sampling

期刊

METALSWATERsurfaceSEDIMENTYELLOWRIVERmetalswatersurface sedimentYellow Riv

Norvancomycin-capped silver nanoparticles: Synthesis and antibacterial activities against E. coli

The synthesis of norvancomycin (NVan)-capped silver nanoparticles (Ag@NVan) and their notable in vitro antibacterial activities against E. coli, a Gram-negative

期刊

silvernanoparticleNORVANCOMYCINGRAM-NEGATIVEBACTERIALstrainBIOCONJUGATEsi

Transition metal complexes bearing 2,6-bis(imino)pyridyl:Synthesis, structure, ethylene polymerizati

A series of new complexes {2,6-bis[1-((2-methyl-4-methoxyphenyl)imino)ethyl]pyridine}MCI2 [M=Fe(Ⅱ) (2), Co(Ⅱ) (3), Ni(Ⅱ) (4), Cu(Ⅱ) (5), Zn(Ⅱ) (6)] have be

期刊

Bis(imino)pyridinetransitionmetalcomplexETHYLENEpolymerization/oligomeriza

Characteristics of elution profile in radial chromatography under linear conditions

Based on the mass balance equations of solute transfer in the radial chromatographic column, the theoretical expression to describe the column efficiency and sh

期刊

RADIALchromatographyCOLUMNefficiencyELUTIONprofilesymmetry.radial chro

Theoretical study on the Co2+OH2/Co3+</s

This paper presents a contact distance dependence analysis scheme and an ab initio calculation application for the electron transfer （ET） reactivity of Co2+OH2/Co

期刊

electrontransferREACTIVITYCo2+OH2/Co3+OH2contact-distancedependenceactivat

The protection effect of β-CD on DNA damage induced by ultrafine TiO2

Under the photocatalysis of 365 nm ultraviolet radiation,ultrafine TiO2 caused the oxidative damage of Teasy plasmid DNA. The damage was determined by gel-elect

期刊

Β-CDULTRAFINETiO2PLASMIDDNAoxideDAMAGEbondreactionDAMAGErestrain

MOEP Issues Eleven Terms of Standards for Pollutant Emission

【正】 To implement the"Law of the People’s Re-public of China on Environmental Protection",the"Law of the People’s Republic of China on Water Pollution Contr

期刊

SAFEGUARDElevenREPUBLICPROTECTelevenissued九公

Theoretical study on homoleptic mononuclear and binuclear ruthenium carbonyls Ru（CO）<sub>n<

其他学术论文