A theoretical investigation of the hydrolysis of uranium hexafluoride: the initiation mechanism and vibrational spectroscopy-Reference-Cited by-同舟云学术

A theoretical investigation of the hydrolysis of uranium hexafluoride: the initiation mechanism and vibrational spectroscopy

Published:2022 Issue:16 Volume:24 Page:9634-9647
ISSN:1463-9076
Container-title:Physical Chemistry Chemical Physics
language:en
Short-container-title:Phys. Chem. Chem. Phys.

Author:

Lutz Jesse J.¹^ORCID,Byrd Jason N.²,Lotrich Victor F.²,Jensen Daniel S.¹^ORCID,Zádor Judit³^ORCID,Hubbard Joshua A.¹^ORCID

Affiliation:

1. Center for Computing Research (CCR), Sandia National Laboratories, Albuquerque, New Mexico, USA

2. ENSCO, Inc., 4849 North Wickham Road, Melbourne, Florida, 32940, USA

3. Combustion Research Facility, Sandia National Laboratories, Livermore, California, USA

Abstract

A mechanistic study of the hydrolysis of UF6 reveals a dihydroxide intermediate facilitates formation of the observed solid product, UO2F2. Vibrational simulations show that the intermediate may have been detected decades ago by IR spectroscopy.

Publisher

Royal Society of Chemistry (RSC)

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://pubs.rsc.org/en/content/articlepdf/2022/CP/D1CP05268C

Reference104 articles.

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4. Uranium hexafluoride: A manual of good handling practices. Revision 7, Usec technical report, Office of Scientific and Technical Information (OSTI), 1995

5. The Vapor Pressure of Uranium Hexafluoride

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