COMmon Fragments in ORorganomeTallic chemistry

& their molecular orbitals (COMFORT)

This page connects you to the pages with frontier molecular orbitals of small sandwiches and fragments which interact with transition metals through 3 C atoms

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

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3 Carbon-Sandwich Structures MOLECULE GEOMETRY MOLECULAR ORBITALS VIBRATIONS BOND ORDER







Bis(allyl)Ni




[Allyl_Ni]+










ALLYL ANION




CYCLOPROPENYL CATION










Bis(allyl)Ni2Cl2
Bis(allyl)Ni2Cl2




[Ni2Cl2]2+




[Bis(allyl)]2-








[(allyl)NiCl2]-1
[(allyl)NiCl2]-1




[NiCl2]


[(allyl)]-1
[(allyl)]-1