COMmon Fragments in ORorganomeTallics and their molecular orbitals (COMFORT)


This page connects you to the pages with frontier molecular orbitals of metallocenes with 4 carbons.

All web pages were generated using WEBMO and the calculations were carried out using GAUSSIAN suite of programs.


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METALLOCENE MOLECULE GEOMETRY MOLECULAR ORBITALS VIBRATIONS BOND ORDER
SANDWICH STRUCTURE
Staggered (C4H4)2Ni



Eclipsed (C4H4)2Ni (C4H4)2Ni
HALF-SANDWICHES

(C4H4)Ni




(C4H4)Ni(CO)2 (C4H4)Ni(CO)2



(C4H4)Ni(CO)

BENT SANDWICHES