Structural and relative stability studies of IOOX peroxides (X = Cl, Br, I) and their isomers

 
This item is provided by the institution :
University of Ioannina
Repository :
Repository of UOI Olympias
see the original item page
in the repository's web site and access all digital files if the item*
share



2003 (EN)
Structural and relative stability studies of IOOX peroxides (X = Cl, Br, I) and their isomers (EN)

Melissas, V. S. (EN)

Πανεπιστήμιο Ιωαννίνων. Σχολή Θετικών Επιστημών. Τμήμα Χημείας (EL)
Melissas, V. S. (EN)

Two different effective-core-potential methodologies, augmented with extra polarization functions are used at the MP2 level of theory to investigate the isomers of I-containing peroxides of the type XOOI, XIO2, IXO2, XOIO and IOXO (X = Cl, Br, I). The reliability of the results is checked against the all-electron calculations of Misra and Marshall [J. Phys. Chem. A, 102 (1998) 9056] for the IOOI family. Contrary to what has been well established for the chlorine and bromine analogs, the present study confirms the interesting observation that the I-containing peroxide isomers, XOOI, are not the most stable structures in each subfamily. (C) 2003 Elsevier Science B.V. All rights reserved. (EN)

iodine peroxides (EN)

Πανεπιστήμιο Ιωαννίνων (EL)
University of Ioannina (EN)

Journal of Molecular Structure-Theochem (EN)

English

2003

<Go to ISI>://000183065100029

Elsevier (EN)



*Institutions are responsible for keeping their URLs functional (digital file, item page in repository site)