ABSTRACT

AnalogousplotsfordensityofvibrationalstatesarepresentedinFigure8.Arrowsattheplotsof densitiesofelectronicstatesshowthelocationofF errnienergythatiscomputedashalf-distance betweentheHOMOandLUMOenergies.Itisratherstrikinghowsimilararethedensitiesofelectronic statesobtainedforvariousisomersofC32andC86.Thedifferencesaresomewhatmoredistinctforthe smallerstudiedfullerene.Theseresultssuggestthattheorbitalenergylevelsarenotstronglydependent onthetopologyofcarbon-carbonconnectionsinafullerenemolecule.Thesituationisquitedifferent forthedensitiesofvibrationalstatesshowninFigures6and8.Theplotslookverydifferentforallsix studiedisomersofC32.ThispartiallyexplainsthelargedifferencesbetweenIRandRamanspectraof theseisomersdiscussedabove.Fortheotherfullerene,C86,thedifferencesbetweenthedensitiesof vibrationalstatesforallgivenisomersaremuchsmaller.Thisfindingisingoodagreementwith similaritiesobservedinIRandRamanspectra.