Comment on "Evaluation of Y- versus linear-delocalization and the role of charge alternation in trimethylenemethane dianion and butadiene dianions"

Gernot Frenking, Alberto Gobbi

Research output: Contribution to journalArticlepeer-review

7 Scopus citations

Abstract

The conclusions on the relative stabilities of linear and Y-conjugated forms of the C4H2-6 dianion by Agranat, Radhakrishnan, Herndon, and Skancke are based on calculated structures which are higher-order saddle points and not minima on the potential energy hypersurface. The energy minimum conformations clearly show that the trimethylenemethane dianion is more stable than the linear forms because of a more favorable charge distribution.

Original languageEnglish
Pages (from-to)335-337
Number of pages3
JournalChemical Physics Letters
Volume197
Issue number3
DOIs
StatePublished - 11 Sep 1992
Externally publishedYes

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