Ab initio theoretical study of dipole-bound anions of molecular complexes. Anions of H-bonded hydrogen cyanide polymers

Johan Smets, Dayle M A Smith, Ludwik Adamowicz

Research output: Contribution to journalArticle

2 Citations (Scopus)

Abstract

Ab initio calculations have been performed to determine the relative stabilities and structures of small hydrogen cyanide polymers and their dipole-bound anions. It is predicted that while the formation of cyclic structures should dominate in the neutral environment, in the free-electron-rich environment linear clusters should be preferably formed.

Original languageEnglish (US)
Pages (from-to)451-457
Number of pages7
JournalChemical Physics Letters
Volume297
Issue number5-6
StatePublished - Dec 4 1998

Fingerprint

Hydrogen Cyanide
hydrocyanic acid
Anions
Polymers
dipoles
anions
Electrons
polymers
free electrons

ASJC Scopus subject areas

  • Physical and Theoretical Chemistry
  • Spectroscopy
  • Atomic and Molecular Physics, and Optics

Cite this

Ab initio theoretical study of dipole-bound anions of molecular complexes. Anions of H-bonded hydrogen cyanide polymers. / Smets, Johan; Smith, Dayle M A; Adamowicz, Ludwik.

In: Chemical Physics Letters, Vol. 297, No. 5-6, 04.12.1998, p. 451-457.

Research output: Contribution to journalArticle

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