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Structure, bonding, and energetics of C72− isomers

Authors: O. Dolgounitcheva; V. G. Zakrzewski; J. V. Ortiz;

Structure, bonding, and energetics of C72− isomers

Abstract

Several isomers of C72− were studied with electron correlation methods and augmented, correlation-consistent basis sets. All are thermodynamically stable with respect to dissociation into C5− and C2− anions. Isomerization energies are less than 5 kcal/mol at the highest level of theory. Vertical and adiabatic electron detachment energies are positive for the D3h form of C72−. Linear, carbene, bridged-chain, and chain-ring isomers are considered as well. Feynman–Dyson amplitudes connecting dianionic and anionic states reveal extensive delocalization of the least bound electrons.

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selected citations
These citations are derived from selected sources.
This is an alternative to the "Influence" indicator, which also reflects the overall/total impact of an article in the research community at large, based on the underlying citation network (diachronically).
BIP!Citations provided by BIP!
popularity
This indicator reflects the "current" impact/attention (the "hype") of an article in the research community at large, based on the underlying citation network.
BIP!Popularity provided by BIP!
influence
This indicator reflects the overall/total impact of an article in the research community at large, based on the underlying citation network (diachronically).
BIP!Influence provided by BIP!
impulse
This indicator reflects the initial momentum of an article directly after its publication, based on the underlying citation network.
BIP!Impulse provided by BIP!
16
Average
Top 10%
Top 10%
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