Quantum chemistry and simulation help characterize coordination complex of elusive element 61

Scientists at Oak Ridge National Laboratory, in collaboration with the National Institute of Standards and Technology, have successfully characterized the coordination complex of the elusive element promethium (element 61). Using a combination of experimentation and quantum chemistry simulations, they purified promethium and created a water-soluble complex, enabling the first detailed analysis of its electronic structure. This work, facilitated by the powerful Summit supercomputer, fills a critical gap in understanding promethium and opens avenues for research on other rare earth elements.

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