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