Experimental electron density of the ozonide ion (O3-) in potassium ozonide, KO3

Autor:	Nikolaus Korber, Thomas Kellersohn, Martin Jansen
Rok vydání:	1993
Předmět:	Electron density Inorganic chemistry General Chemistry Electronic structure Electron Biochemistry Molecular physics Catalysis Ion chemistry.chemical_compound Colloid and Surface Chemistry Chemical bond chemistry Molecule Ozonide Ground state
Zdroj:	Journal of the American Chemical Society. 115:11254-11258
ISSN:	1520-5126 0002-7863
DOI:	10.1021/ja00077a026
Popis:	The deformation electron density in potassium ozonide has been determined by multipole refinement with the Hirshfeld formalism using single-crystal X-ray data collected at 170 K. No electron excess is observed in the oxygen-oxygen bond regions of the ozonide ion, a feature that is at first sight surprising, but it is not unusual for bonds between electronegative atoms. The explanation is that oxygen has a degenerate ground state with an open p shell, and therefore the total deformation density results from both chemical bonding effects and the superposition of nonspherical ground states. The former effect, if small, cannot compensate for the latter, and a net charge depletion results
Databáze:	OpenAIRE
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