Synthesis and characterization of Th 2N 2(NH) isomorphous to Th 2N 3

G. W.Chinthaka Silva, Charles B. Yeamans, Philppe F. Weck, John D. Hunn, Gary S. Cerefice, Alfred P. Sattelberger, Ken R. Czerwinski

Research output: Contribution to journalArticlepeer-review

7 Scopus citations

Abstract

Using a new, low-temperature, fluoride-based process, thorium nitride imide of the chemical formula Th 2N 2(NH) was synthesized from thorium dioxide via an ammonium thorium fluoride intermediate. The resulting product phase was characterized by powder X-ray diffraction (XRD) analysis and was found to be crystallographically similar to Th 2N 3. Its unit cell was hexagonal with a space group of P3m̄1 and lattice parameters of a = b = 3.886(1) and c = 6.185(2) Å. The presence of -NH in the nitride phase was verified by Fourier transform infrared spectroscopy (FTIR). Total energy calculations performed using all-electron scalar relativistic density functional theory (DFT) showed that the hydrogen atom in the Th 2N 2(NH) prefers to bond with nitrogen atoms occupying 1a Wyckoff positions of the unit cell. Lattice fringe disruptions observed in nanoparticle areas of the nitride species by high-resolution transmission electron microscopic (HRTEM) images also displayed some evidence for the presence of -NH group. As ThO 2 was identified as an impurity, possible reaction mechanisms involving its formation are discussed.

Original languageEnglish
Pages (from-to)3332-3340
Number of pages9
JournalInorganic Chemistry
Volume51
Issue number5
DOIs
StatePublished - Mar 5 2012

Fingerprint

Dive into the research topics of 'Synthesis and characterization of Th 2N 2(NH) isomorphous to Th 2N 3'. Together they form a unique fingerprint.

Cite this