BIBLIOS

Tipo
Artigos em Revista

Tipo de Documento
Artigo Completo

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

Participantes na publicação
Nuno A. G. Bandeira (Author)
Dep. Química e Bioquímica
BioISI
Joaquim Marçalo (Author)
UNIVERSIDADE DE LISBOA

Resumo
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.


Suporte
Physical Chemistry Chemical Physics

Identificadores da Publicação
ISSN - 1463-9076

Editora
Royal Society of Chemistry (RSC)



Identificadores do Documento
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)

Anotações
Open Access

Download