October 7, 2017
Journal Article

A new Pu(III) coordination geometry in (C5H5NBr)2[PuCl3(H2O)5] · 2Cl · 2H2O as obtained via supramolecular assembly in aqueous, high chloride media

Abstract

Crystals of a hydrated Pu(III) chloride, (C5H5NBr)2[PuCl3(H2O)5] · 2Cl · 2H2O, were grown via slow evaporation from acidic aqueous, high chloride mhttps://informationrelease.pnl.gov/searchedia. X-ray diffraction data reveals the neutral [PuCl3(H2O)5] tecton is assembled via charge assisted hydrogen and halogen bonds donated by 4-bromopyridinium (4-BrPyH) cations and a series of inter-tecton hydrogen bonds. Negative regions of the electrostatic potential (ESP) at the Cl and positive ESP regions at the aquo ligands of [PuCl3(H2O)5] explain the simultaneous donor/acceptor ability of this species.

Revised: June 19, 2019 | Published: October 7, 2017

Citation

Surbella R.G., L. Ducati, K.L. Pellegrini, B.K. McNamara, J. Autschbach, J.M. Schwantes, and C.L. Cahill. 2017. A new Pu(III) coordination geometry in (C5H5NBr)2[PuCl3(H2O)5] · 2Cl · 2H2O as obtained via supramolecular assembly in aqueous, high chloride media. Chemical Communications 53, no. 78:10816-10819. PNNL-SA-128010. doi:10.1039/c7cc05988d