Determining Relative f and d Orbital Contributions to M–Cl Covalency in MCl62– (M = Ti, Zr, Hf, U) and UOCl5– Using Cl K-Edge X-ray Absorption Spectroscopy and Time-Dependent Density Functional Theory-Reference-Cited by-同舟云学术

Determining Relative f and d Orbital Contributions to M–Cl Covalency in MCl62– (M = Ti, Zr, Hf, U) and UOCl5– Using Cl K-Edge X-ray Absorption Spectroscopy and Time-Dependent Density Functional Theory

Published:2012-03-09 Issue:12 Volume:134 Page:5586-5597
ISSN:0002-7863
Container-title:Journal of the American Chemical Society
language:en
Short-container-title:J. Am. Chem. Soc.

Author:

Minasian Stefan G.¹²,Keith Jason M.¹,Batista Enrique R.¹,Boland Kevin S.¹,Clark David L.¹,Conradson Steven D.¹,Kozimor Stosh A.¹,Martin Richard L.¹,Schwarz Daniel E.¹,Shuh David K.²,Wagner Gregory L.¹,Wilkerson Marianne P.¹,Wolfsberg Laura E.¹,Yang Ping³

Affiliation:

1. Los Alamos National Laboratory, Los Alamos, New Mexico 87545, United States

2. Chemical Sciences Division, Lawrence Berkeley National Laboratory, Berkeley, California 94720, United States

3. W.R. Wiley Environmental Molecular Sciences Laboratory, Pacific Northwest National Laboratory, Richland, Washington 99352, United States

Publisher

American Chemical Society (ACS)

Subject

Colloid and Surface Chemistry,Biochemistry,General Chemistry,Catalysis

Link

https://pubs.acs.org/doi/pdf/10.1021/ja2105015

Reference100 articles.

1. Beyond the bond

Cited by 184 articles. 订阅此论文施引文献订阅此论文施引文献，注册后可以免费订阅5篇论文的施引文献，订阅后可以查看论文全部施引文献

1. The Counterintuitive Relationship between Orbital Energy, Orbital Overlap, and Bond Covalency in CeF₆^2– and CeCl₆^2–;Journal of the American Chemical Society;2024-09-06

2. Understanding covalency in molecular f-block compounds from the synergy of spectroscopy and quantum chemistry;Nature Reviews Chemistry;2024-08-22

3. Anion-Doping-Mediated Metal–Support Interactions in CeO₂-Supported Pd Catalysts for CO₂ Hydrogenation;ACS Catalysis;2024-08-19

4. On the origin of low-valent uranium oxidation state;Nature Communications;2024-08-10

5. Analyzing the Intensities of K-Edge Transitions in X₂ Molecules (X = F, Cl, Br) for Use in Ligand K-Edge X-ray Absorption Spectroscopy;Inorganic Chemistry;2024-08-07