A graphical example of relativistic effects in molecules


The pictures shown here are electron densities resulting from a non-relativistic and a relativistic calculation on UF6. The spinor orbital shown is dominated by uranium 6s. The MO goes from strongly anti-bonding to almost non-bonding due to the contraction of the U 6s orbital. The density shown is represented with a logarithmic scale. Purple represents very low density and red is high density. Both pictures use the same colour scale.

Non-relativistic result:

Relativistic result:

These 3D pictures of electron densities were made by Jo Asplin from the university of Tromsø (Norway).


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