BIBLIOS

Document type
Journal articles

Document subtype
Full paper

Title
The inert pair effect on heavy noble gases: insights from radon tetroxide

Participants in the publication
Nuno A. G. Bandeira (Author)
Dep. Química e Bioquímica
BioISI
Joaquim Marçalo (Author)
UNIVERSIDADE DE LISBOA

Summary
A quantum chemical survey of radon and xenon tetroxides (NgO4, Ng = Xe, Rn) is reported herein. The intermediate species, which are formed in their explosive decomposition back to their elemental states (Ng and O2), were also studied and their energetics were compared. While Td symmetric RnO4 has a minimum energy structure, its standard enthalpy of formation is 88.6 kJ mol−1 higher than for XeO4. The reason for this higher instability lies in what is known as the inert pair effect. This work establishes that the high-valent chemical trends of the sixth period of groups 13–15 are indeed extended to group 18.


Where published
Physical Chemistry Chemical Physics

Publication Identifiers
ISSN - 1463-9076

Publisher
Royal Society of Chemistry (RSC)



Document Identifiers
DOI - https://doi.org/10.1039/d3cp01347b
URL - http://dx.doi.org/10.1039/d3cp01347b

Keywords
Noble Gases quantum chemistry Radon Xenon Inert Pair Effect CCSD(T)

Notes
Open Access

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