FRONTIER ORBITALS OF COMMON FRAGMENTS

FRONTIER MOLECULAR ORBITALS OF COMMON METAL FRAGMENTS OF ORGANOMETALLICS

This page connects you to the pages with frontier molecular orbitals of typical molecules with square pyramidal geometry.
Odd electron species are avoided. Instead, the closest cationic or anionic species are computed.
Mn(CO)5 is a radical and so the cation and the anion are presented.
All web pages were generated using WEBMO and the calculations were carried out using GAUSSIAN suite of programs.

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SQUARE PYRAMIDAL

MOLECULE

GEOMETRY

MOLECULAR ORBITALS

VIBRATIONS

BOND ORDER

[Manganese pentacarbonyl]+

[Manganese (pentacarbonyl)]-

Fragment ML4

Fe(CO)₄

Mn(CO)₄ for allyl

Square Planar ML₄

[PtCl₄]^2-