The duality of electron localization and covalency in lanthanide and actinide metallocenes
Abstract
Unequivocal experimental evidence for carbon 2p and cerium 4f orbital mixing in cerocene, Ce(C 8 H 8 ) 2 is provided from carbon K-edge and Ce M 5,4 -edge X-ray absorption spectroscopies and corroborated with DFT and configuration interaction calculations.
- Authors:
-
[2];
[3];
[2];
[1];
[1];
[4];
- Lawrence Berkeley National Laboratory, Berkeley, USA
- Los Alamos National Laboratory, Los Alamos, USA
- Colgate University, Hamilton, USA
- California State Polytechnic University, Pomona, USA
- Publication Date:
- Sponsoring Org.:
- USDOE
- OSTI Identifier:
- 1599477
- Grant/Contract Number:
- AC02-05CH11231; AC52-06NA25396
- Resource Type:
- Published Article
- Journal Name:
- Chemical Science
- Additional Journal Information:
- Journal Name: Chemical Science; Journal ID: ISSN 2041-6520
- Publisher:
- Royal Society of Chemistry (RSC)
- Country of Publication:
- United Kingdom
- Language:
- English
Citation Formats
Smiles, Danil E., Batista, Enrique R., Booth, Corwin H., Clark, David L., Keith, Jason M., Kozimor, Stosh A., Martin, Richard L., Minasian, Stefan G., Shuh, David K., Stieber, S. Chantal E., and Tyliszczak, Tolek. The duality of electron localization and covalency in lanthanide and actinide metallocenes. United Kingdom: N. p., 2020.
Web. doi:10.1039/C9SC06114B.
Smiles, Danil E., Batista, Enrique R., Booth, Corwin H., Clark, David L., Keith, Jason M., Kozimor, Stosh A., Martin, Richard L., Minasian, Stefan G., Shuh, David K., Stieber, S. Chantal E., & Tyliszczak, Tolek. The duality of electron localization and covalency in lanthanide and actinide metallocenes. United Kingdom. doi:10.1039/C9SC06114B.
Smiles, Danil E., Batista, Enrique R., Booth, Corwin H., Clark, David L., Keith, Jason M., Kozimor, Stosh A., Martin, Richard L., Minasian, Stefan G., Shuh, David K., Stieber, S. Chantal E., and Tyliszczak, Tolek. Wed .
"The duality of electron localization and covalency in lanthanide and actinide metallocenes". United Kingdom. doi:10.1039/C9SC06114B.
@article{osti_1599477,
title = {The duality of electron localization and covalency in lanthanide and actinide metallocenes},
author = {Smiles, Danil E. and Batista, Enrique R. and Booth, Corwin H. and Clark, David L. and Keith, Jason M. and Kozimor, Stosh A. and Martin, Richard L. and Minasian, Stefan G. and Shuh, David K. and Stieber, S. Chantal E. and Tyliszczak, Tolek},
abstractNote = {Unequivocal experimental evidence for carbon 2p and cerium 4f orbital mixing in cerocene, Ce(C 8 H 8 ) 2 is provided from carbon K-edge and Ce M 5,4 -edge X-ray absorption spectroscopies and corroborated with DFT and configuration interaction calculations.},
doi = {10.1039/C9SC06114B},
journal = {Chemical Science},
number = ,
volume = ,
place = {United Kingdom},
year = {2020},
month = {1}
}
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DOI: 10.1039/C9SC06114B
DOI: 10.1039/C9SC06114B
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