Computational and Theoretical Chemistry Group (CATCO), Department of Chemistry, Southern Methodist University, 3215 Daniel Ave, Dallas, TX 75275-0314, USA.
Int J Mol Sci. 2022 Apr 22;23(9):4655. doi: 10.3390/ijms23094655.
This review summarizes the recent developments regarding the use of uranium as nuclear fuel, including recycling and health aspects, elucidated from a chemical point of view, i.e., emphasizing the rich uranium coordination chemistry, which has also raised interest in using uranium compounds in synthesis and catalysis. A number of novel uranium coordination features are addressed, such the emerging number of U(II) complexes and uranium nitride complexes as a promising class of materials for more efficient and safer nuclear fuels. The current discussion about uranium triple bonds is addressed by quantum chemical investigations using local vibrational mode force constants as quantitative bond strength descriptors based on vibrational spectroscopy. The local mode analysis of selected uranium nitrides, N≡U≡N, U≡N, N≡U=NH and N≡U=O, could confirm and quantify, for the first time, that these molecules exhibit a UN triple bond as hypothesized in the literature. We hope that this review will inspire the community interested in uranium chemistry and will serve as an incubator for fruitful collaborations between theory and experimentation in exploring the wealth of uranium chemistry.
本文从化学角度综述了铀作为核燃料的最新研究进展，包括回收和健康方面，强调了丰富的铀配位化学，这也引起了人们对铀化合物在合成和催化中应用的兴趣。本文还介绍了一些新型的铀配位特征，如新兴的 U(II) 配合物和氮化物配合物，它们是更高效、更安全核燃料的一类有前途的材料。本文使用局部振动模式力常数作为基于振动光谱的定量键强度描述符的量子化学研究，探讨了铀三键的当前讨论。对选定的铀氮化物，N≡U≡N、U≡N、N≡U=NH 和 N≡U=O 的局部模式分析，首次证实并量化了这些分子具有文献中假设的 UN 三键。我们希望这篇综述将激发对铀化学感兴趣的研究人员的兴趣，并为理论和实验之间富有成效的合作提供一个契机，以探索丰富的铀化学。
