Corrigendum to “Radiolytic evaluation of select sulfur chlorides (S₂Cl₂ and SOCl₂) for advanced low temperature chlorination of zirconium-based used nuclear fuel cladding” [Radiat. Phys. Chem. 206 110732] (Radiation Physics and Chemistry (2023) 206, (S0969806X22007952), (10.1016/j.radphyschem.2022.110732))

In our original article, the Raman-active S₂Cl₂ and SOCl₂ radiolysis product at 516 cm⁻¹ in Figures 1 and 3 was assigned to Cl₂, as this closely matched gas-phase density functional theory (DFT) predictions, and no additional peaks at other Raman shifts were observed at that time to indicate other radiolysis products. However, the spectrum of Cl₂ in S₂Cl₂ is typically seen as two peaks at slightly higher wavenumbers than predicted: 536 and 542 cm⁻¹ vs. 516 cm⁻¹, respectively (Steudel et al., 1987). The two vibrational peaks are from the Cl–Cl bond stretch in Cl₂ for ³⁵Cl–³⁵Cl and ³⁵Cl–³⁷Cl. Therefore, we now believe that our initial assignment for the peak at 516 cm⁻¹ was incorrect. The in-growth of Cl₂ is observed during the irradiation of SOCl₂, as indicated by the two Raman peaks at 538 and 545 cm⁻¹ in Figure 3. The observed degradation product at 516 cm⁻¹ in both S₂Cl₂ and SOCl₂ is likely sulfur dichloride (SCl₂), which has a known Raman spectrum with two strong vibrational modes at 208 and 517 cm⁻¹ (Steudel et al., 1987). The mode at 208 cm⁻¹ is beneath strong vibrational modes for S₂Cl₂ and SOCl₂, and thus, was likely masked in our study by the parent compounds. The DFT calculated spectrum of SCl₂ was given in the original Supplementary Information (SI) as Figure S19 and is reproduced below. The calculated mode at 485 cm⁻¹ is very weak (Steudel et al., 1987).[Formula presented] It is known that SCl₂ is formed in an equilibrium with the parent compound in the presence of dissolved Cl₂ (Weil and Sandler, 2000): S₂Cl₂ + Cl₂ ⇌ 2SCl₂, K = 77 at 18 °C. Therefore, even though Cl₂ does not appear in our S₂Cl₂ Raman spectra as we previously thought, it may have been initially formed by a mechanism consistent with our reported results and reacted with the parent compound to yield SCl₂ according to Eq. (1). The small amount of Cl₂ remaining in the solution could also have been masked by the S–S stretch of S₂Cl₂ at 539 cm⁻¹, especially considering the weak Raman effect of elemental chlorine (Steudel et al., 1987). Jacy K. Conrad: Conceptualization, Formal analysis, Investigation, Methodology, Validation, Writing – original draft. Michael E. Woods: Investigation, Writing – review & editing. Gregory P. Horne: Conceptualization, Funding acquisition, Supervision, Writing – original draft.