Extraction of ²⁴⁴Cm Using 3,3′‐Dibutyloxyphenyl‐bis‐1,2,4‐Triazinyl‐2,6‐Pyridine as a Bipolar Complexant: A Fundamental, density functional theory, and Spectroscopic Study

Defining effective separation processes to extract the minor actinides from lanthanides remains a significant challenge in the expansion of nuclear power as a greener alternative to carbon‐based energy. Minor actinides, Am, Cm, and Np, are routinely produced as byproducts of nuclear fission and present numerous challenges for separation from the neutron‐poisoning lanthanides, including similar oxidation states, cationic radii, and coordination number. Transmutation of the minor actinides to fast‐neutron reactors to decrease the radiotoxicity and volume of high‐level waste stored in a geologic repository necessarily demands chemoselective isolation strategies. In this work, a comprehensive biphasic extraction, theoretical, and spectroscopic study using the recently discovered soft‐N‐donor, bipolar complexant, 3,3′‐dibutyloxy‐phenyl‐bis‐[1,2,4]‐triazinyl‐2,6,‐pyridine (BOB‐BTP) for 244 Cm 3+ extraction is described. Solvent extraction, density functional theory, and spectroscopic data are reported herein.