Zwitterion-Dianion complexes and anion-anion clusters with negative dissociation energies

Research output: Contribution to journalArticlepeer-review

67 Scopus citations

Abstract

Clusters of oxalate and malonate dianions with glycine in its zwitterionic form were found by ab initio and density functional theory calculations. Proton transfer is impeded by an electrostatic barrier, but the resulting anion-anion pairs form complexes despite having negative dissociation energies. A variety of X-/Y- species with exothermic dissociation energies ranging from 10 to 141 kcal mol-1, but large enough barriers to be experimentally produced, are reported. These dianions may represent an unrecognized control element in nature and provide a unique opportunity to probe electrostatic effects and a wealth of novel clusters.

Original languageEnglish (US)
Pages (from-to)13098-13099
Number of pages2
JournalJournal of the American Chemical Society
Volume127
Issue number38
DOIs
StatePublished - Sep 28 2005

Fingerprint Dive into the research topics of 'Zwitterion-Dianion complexes and anion-anion clusters with negative dissociation energies'. Together they form a unique fingerprint.

Cite this