Trends in covalency for d- and f-element metallocene dichlorides identified using chlorine K-edge X-ray absorption spectroscopy and time-dependent density functional theory

被引:0
|
作者
Kozimor, Stosh A. [1 ]
Yang, Ping [1 ,2 ]
Batista, Enrique R. [1 ]
Boland, Kevin S. [1 ]
Burns, Carol J. [1 ]
Clark, David L. [1 ]
Conradson, Steven D. [1 ]
Martin, Richard L. [1 ]
Wilkerson, Marianne P. [1 ]
Wolfsberg, Laura E. [1 ]
机构
[1] Los Alamos National Laboratory, Los Alamos, NM 87545, United States
[2] W.R. Wiley Environmental Molecular Sciences Laboratory, Pacific Northwest National Laboratory, Richland, WA 99352, United States
来源
关键词
X ray absorption spectroscopy;
D O I
暂无
中图分类号
学科分类号
摘要
Journal article (JA)
引用
收藏
页码:12125 / 12136
相关论文
共 50 条
  • [1] Trends in Covalency for d- and f-Element Metallocene Dichlorides Identified Using Chlorine K-Edge X-ray Absorption Spectroscopy and Time-Dependent Density Functional Theory
    Kozimor, Stosh A.
    Yang, Ping
    Batista, Enrique R.
    Boland, Kevin S.
    Burns, Carol J.
    Clark, David L.
    Conradson, Steven D.
    Martin, Richard L.
    Wilkerson, Marianne P.
    Wolfsberg, Laura E.
    JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 2009, 131 (34) : 12125 - 12136
  • [2] Covalency trends in group IV metallocene dichlorides. Chlorine K-edge X-ray absorption spectroscopy and time dependent-density functional theory
    Kozimor, Stosh A.
    Yang, Ping
    Batista, Enrique R.
    Boland, Kevin S.
    Burns, Carol J.
    Christensen, Christin N.
    Clark, David L.
    Conradson, Steven D.
    Hay, P. Jeffrey
    Lezama, Juan S.
    Martin, Richard L.
    Schwarz, Daniel E.
    Wilkerson, Marianne P.
    Wolfsberg, Laura E.
    INORGANIC CHEMISTRY, 2008, 47 (12) : 5365 - 5371
  • [4] Carbon K-Edge X-ray Absorption Spectroscopy and Time-Dependent Density Functional Theory Examination of Metal-Carbon Bonding in Metallocene Dichlorides
    Minasian, Stefan G.
    Keith, Jason M.
    Batista, Enrique R.
    Boland, Kevin S.
    Kozimor, Stosh A.
    Martin, Richard L.
    Shuh, David K.
    Tyliszczak, Tolek
    Vernon, Louis J.
    JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 2013, 135 (39) : 14731 - 14740
  • [5] Covalency in f-element materials probed with ligand K-edge X-ray absorption spectroscopy
    Batista, Enrique
    ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 2015, 249
  • [6] Sulfur K-edge X-ray absorption spectroscopy and time-dependent density functional theory of arsenic dithiocarbamates
    Donahue, Courtney M.
    Pacheco, Juan S. Lezama
    Keith, Jason M.
    Daly, Scott R.
    DALTON TRANSACTIONS, 2014, 43 (24) : 9189 - 9201
  • [7] Covalency in actinyl ions evaluated using oxygen K-edge X-ray absorption spectroscopy and density functional theory
    Minasian, Stefan
    Batista, Enrique
    Booth, Corwin
    Keith, Jason
    Lukens, Wayne
    Kozimor, Stosh
    Martin, Richard
    Shuh, David
    ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 2015, 250
  • [8] Trends in covalency for d- and f-element metallocene dichlorides: Insights on theory and experiment from P. Jeffrey Hay
    Clark, David L.
    Kozimor, Stosh A.
    Batista, Enrique R.
    Boland, Kevin S.
    Burns, Carol J.
    Conradson, Steven D.
    Martin, Richard L.
    Wilkerson, Mariane P.
    Wolfsberg, Laura E.
    ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 2009, 238
  • [9] High-resolution molybdenum K-edge X-ray absorption spectroscopy analyzed with time-dependent density functional theory
    Lima, Frederico A.
    Bjornsson, Ragnar
    Weyhermueller, Thomas
    Chandrasekaran, Perumalreddy
    Glatzel, Pieter
    Neese, Frank
    DeBeer, Serena
    PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 2013, 15 (48) : 20911 - 20920
  • [10] Time-dependent density functional calculations of ligand K-edge X-ray absorption spectra
    George, Serena DeBeer
    Petrenko, Taras
    Neese, Frank
    INORGANICA CHIMICA ACTA, 2008, 361 (04) : 965 - 972