A relativistic DFT probe for small-molecule activation mediated by low-valent uranium metallocenes-Reference-Cited by-同舟云学术

A relativistic DFT probe for small-molecule activation mediated by low-valent uranium metallocenes

Published:2021 Issue:9 Volume:45 Page:4270-4279
ISSN:1144-0546
Container-title:New Journal of Chemistry
language:en
Short-container-title:New J. Chem.

Author:

Shen Yong-Peng¹²³⁴⁵,Cai Hong-Xue¹²³⁴⁵,Chen Fang-Yuan⁶⁷⁸⁵,Guo Yuan-Ru⁹¹⁰¹¹¹²⁵,Pan Qing-Jiang¹²³⁴⁵^ORCID

Affiliation:

1. Key Laboratory of Functional Inorganic Material Chemistry (Ministry of Education)

2. School of Chemistry and Materials Science

3. Heilongjiang University

4. Harbin

5. China

6. School of Electrical and Information Engineering

7. Heilongjiang University of Technology

8. Jixi 158100

9. Key Laboratory of Bio-Based Material Science & Technology (Ministry of Education)

10. College of Material Science and Engineering

11. Northeast Forestry University

12. Harbin 150040

Abstract

DFT calculations rationalize the capability of uranium metallocenes in activating small molecules, and the experimentally inaccessible CO₂ adduct is addressed.

Funder

Natural Science Foundation of Heilongjiang Province

Publisher

Royal Society of Chemistry (RSC)

Subject

Materials Chemistry,General Chemistry,Catalysis

Link

http://pubs.rsc.org/en/content/articlepdf/2021/NJ/D0NJ06296K

Reference70 articles.

1. Carbon oxygenate transformations by actinide compounds and catalysts

2. Towards uranium catalysts

3. Trivalent Uranium Complex in Small Molecules Activation

4. Small‐Molecule Activation at Uranium(III)

5. Solar‐Driven Nitrogen Fixation Catalyzed by Stable Radical‐Containing MOFs: Improved Efficiency Induced by a Structural Transformation

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