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Updated: Aug 31, 2025

A Novel Technique for Raman Analysis of Highly Radioactive Samples Using Any Standard Micro-Raman Spectrometer
Published on: April 12, 2017
Extended X-ray absorption fine structure spectroscopy measurements and ab initio molecular dynamics simulations
Akiko Yamaguchi1,2,3,4, Kojiro Nagata5, Keita Kobayashi1
1Center for Computational Science and e-Systems, Japan Atomic Energy Agency, 148-4 Kashiwanoha Campus, 178-4 Wakashiba, Kashiwa, Chiba 277-0871, Japan.
Abstract:
Radium is refocused from the viewpoint of an environmental pollutant and cancer therapy using alpha particles, where it mainly exists as a hydrated ion. We investigated the radium hydration structure and the dynamics of water molecules by extended X-ray absorption fine structure (EXAFS) spectroscopy and ab initio molecular dynamics (AIMD) simulation. The EXAFS experiment showed that the coordination number and average distance between radium ion and the oxygen atoms in the first hydration shell are 9.2 ± 1.9 and 2.87 ± 0.06 Å, respectively. They are consistent with those obtained from the AIMD simulations, 8.4 and 2.88 Å. The AIMD simulations also revealed that the water molecules in the first hydration shell of radium are less structured and more mobile than those of barium, which is an analogous element of radium. Our results indicate that radium can be more labile than barium in terms of interactions with water.
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