DICP OpenIR
Theoretical Insights into Hydrogen Bonding and Its Influence on the Structural and Spectral Properties of Aquo Palladium(II) Complexes: cis-[(dppp)Pd(H2O)(2)](2+), cis-[(dppp)Pd(H2O)(OSO2CF3)](+)(OSO2CF3)(-), and cis-[(dppp)Pd(H2O)(2)](2+)(OSO2CF3)(2)(-)
Zhao, Guang-Jiu1; Han, Ke-Li1; Stang, Peter J.2
Source PublicationJOURNAL OF CHEMICAL THEORY AND COMPUTATION
2009-08-01
DOI10.1021/ct900216m
Volume5Issue:8Pages:1955-1958
Indexed BySCI
SubtypeArticle
WOS HeadingsScience & Technology ; Physical Sciences
WOS SubjectChemistry, Physical ; Physics, Atomic, Molecular & Chemical
WOS Research AreaChemistry ; Physics
WOS KeywordPLATINUM(II) COMPLEXES ; WATER ; CATALYSIS ; DYNAMICS ; ACTIVATION ; SOLVATION ; SOLVENTS ; EXCHANGE ; LIGAND ; PT(II)
AbstractDensity functional theory (DFT) and time-dependent density functional theory (TDDFT) methods have been performed to investigate the ground and excited states of aquo palladium(II) complexes cis-[(dppp)Pd(H2O)(2)](2+), cis-[(dppp)Pd(H2O)(OSO2CF3)](+) (OSO2CF3)(-), and cis-[(dppp)Pd(H2O)(2)](2+)(OSO2CF3)(2)(-). Insights into the influence of hydrogen bonding on the structural and spectral properties of these three aquo Pd(II) complexes are presented. The structures and the HOMO-LUMO energy gap of the three aquo Pd(II) complexes can be markedly influenced by hydrogen bonding interactions. Hydrogen bonds can also significantly influence their absorption spectra.
Language英语
WOS IDWOS:000268720100001
Citation statistics
Cited Times:126[WOS]   [WOS Record]     [Related Records in WOS]
Document Type期刊论文
Identifierhttp://cas-ir.dicp.ac.cn/handle/321008/141481
Collection中国科学院大连化学物理研究所
Affiliation1.Chinese Acad Sci, Dalian Inst Chem Phys, State Key Lab Mol React Dynam, Dalian 116023, Peoples R China
2.Univ Utah, Dept Chem, Salt Lake City, UT 84112 USA
Recommended Citation
GB/T 7714
Zhao, Guang-Jiu,Han, Ke-Li,Stang, Peter J.. Theoretical Insights into Hydrogen Bonding and Its Influence on the Structural and Spectral Properties of Aquo Palladium(II) Complexes: cis-[(dppp)Pd(H2O)(2)](2+), cis-[(dppp)Pd(H2O)(OSO2CF3)](+)(OSO2CF3)(-), and cis-[(dppp)Pd(H2O)(2)](2+)(OSO2CF3)(2)(-)[J]. JOURNAL OF CHEMICAL THEORY AND COMPUTATION,2009,5(8):1955-1958.
APA Zhao, Guang-Jiu,Han, Ke-Li,&Stang, Peter J..(2009).Theoretical Insights into Hydrogen Bonding and Its Influence on the Structural and Spectral Properties of Aquo Palladium(II) Complexes: cis-[(dppp)Pd(H2O)(2)](2+), cis-[(dppp)Pd(H2O)(OSO2CF3)](+)(OSO2CF3)(-), and cis-[(dppp)Pd(H2O)(2)](2+)(OSO2CF3)(2)(-).JOURNAL OF CHEMICAL THEORY AND COMPUTATION,5(8),1955-1958.
MLA Zhao, Guang-Jiu,et al."Theoretical Insights into Hydrogen Bonding and Its Influence on the Structural and Spectral Properties of Aquo Palladium(II) Complexes: cis-[(dppp)Pd(H2O)(2)](2+), cis-[(dppp)Pd(H2O)(OSO2CF3)](+)(OSO2CF3)(-), and cis-[(dppp)Pd(H2O)(2)](2+)(OSO2CF3)(2)(-)".JOURNAL OF CHEMICAL THEORY AND COMPUTATION 5.8(2009):1955-1958.
Files in This Item:
There are no files associated with this item.
Related Services
Recommend this item
Bookmark
Usage statistics
Export to Endnote
Google Scholar
Similar articles in Google Scholar
[Zhao, Guang-Jiu]'s Articles
[Han, Ke-Li]'s Articles
[Stang, Peter J.]'s Articles
Baidu academic
Similar articles in Baidu academic
[Zhao, Guang-Jiu]'s Articles
[Han, Ke-Li]'s Articles
[Stang, Peter J.]'s Articles
Bing Scholar
Similar articles in Bing Scholar
[Zhao, Guang-Jiu]'s Articles
[Han, Ke-Li]'s Articles
[Stang, Peter J.]'s Articles
Terms of Use
No data!
Social Bookmark/Share
All comments (0)
No comment.
 

Items in the repository are protected by copyright, with all rights reserved, unless otherwise indicated.