A publication of PCMT team selected as a Featured article in Inorganic Chemistry journal Chemistry and makes it to the cover

PCMT Actualités scientifiques Parutions

For the first time, the luminescence properties of a bent uranyl complex are simultaneously measured and characterized by ab initio calculations. This work is selected as a “Featured Article” of Inorganic Chemistry and makes it to the cover.

The uranyl ion is the cation with formula UO22+ in which uranium is in the +6 oxidation state. Uranyl predominantly forms complexes in which the two oxygen atoms of the unit are in a linear configuration. Distortion from the linearity can be observed with atypical coordination environments as is the case in uranyl dichloride UO2Cl2 and UO2Cl2(phen)2,  (phen = 1,10-phenanthroline). 

This work, carried out jointly with Hanna Oher (Institut de Chimie de Rennes), Richard Wilson and David Schnaars (Argonne National Laboratory, USA), André Gomes and Valérie Vallet (PCMT, PhLAM), reports and analyses for the first time the luminescence properties of a bent uranyl(VI) complex. The luminescence spectra have been experimentally recorded and computed with vibrationally resolved ab initio calculations. The bending of uranyl in UO2Cl2(phen)2 and in the UO2Cl2 complex yields a denser spectrum with vibronically induced excitations of the uranyl bending mode, which can be seen as fingerprints of the bent structure.

Reference:

Hanna Oher, André Severo Pereira Gomes, Richard E. Wilson, David D. Schnaars, Valérie Vallet How does bending the uranyl unit influence its spectroscopy and luminescence

Inorganic Chemistry, 2023, 62, pp.9273−9284. 

DOI : ⟨10.1021/acs.inorgchem.3c00847⟩

Links :

https://pubs.acs.org/page/inocaj/featured-articles

https://dx.doi.org/10.1021/acs.inorgchem.3c00847

https://hal.archives-ouvertes.fr/hal-04017334

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