Oxygen

Oxygen (O₂)

The buttons below will show the bond lengths of the three ab intitio calculations. The best optimized geometry is from the DZV because this gives the exact answer from literature values.

Experimental value=0.12074nm¹	321G	631G	DZV
Bond Length	0.124nm	0.119nm	0.121nm

The two buttons below will provide live displays of oxygens HOMO and LUMO orbitals. The highest occupied orbital was found to be the 8th orbital while the lowest unoccupied orbital was found to be the 9th orbital. These displays were taken from the DZV optimized structure of oxygen.

The button below will present oxygens partial charges.

As one can see oxygen does not have partial charges on its molecules since it is a nuetral diatomic.

Valence Energy Diagram of Oxygen

Bond Levels

Potential Energy of Bond Stretching

Home Page Ozone Flourobezene

Resources:
(1) Lide, D., Eds. CRC Handbook of Chemistry and Physics, 73; CRC Press Inc.: Coca Raton, FL, 1992; 9.21.

Based on template by A. Herráez as modified by J. Gutow

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