Structure of thionyl imides - The new isomer

T. Pasinszki, T. Veszprémi, Miklós Fehér

Research output: Contribution to journalArticle

3 Citations (Scopus)

Abstract

Equilibrium geometries of the molecules XNSO (where X = Li, Na, HBe, HMg, H2B or H2Al) were calculated using the second-order Møller-Plesset perturbation theory. The four-membered planar cyclic form, previously postulated for a number of other pseudohalides, is predicted to be the dominant isomer in the vapour phase. Potential energy curves for the migration of the substituent between the end atoms of the NSO group were also calculated and the relative stabilities of the new structures are compared to the 'conventional' open chain isomers.

Original languageEnglish
Pages (from-to)466-470
Number of pages5
JournalChemical Physics Letters
Volume250
Issue number5-6
Publication statusPublished - Mar 8 1996

Fingerprint

Imides
imides
Isomers
isomers
Potential energy
perturbation theory
potential energy
Vapors
vapor phases
Atoms
Molecules
Geometry
curves
geometry
atoms
molecules

ASJC Scopus subject areas

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

Cite this

Structure of thionyl imides - The new isomer. / Pasinszki, T.; Veszprémi, T.; Fehér, Miklós.

In: Chemical Physics Letters, Vol. 250, No. 5-6, 08.03.1996, p. 466-470.

Research output: Contribution to journalArticle

Pasinszki, T. ; Veszprémi, T. ; Fehér, Miklós. / Structure of thionyl imides - The new isomer. In: Chemical Physics Letters. 1996 ; Vol. 250, No. 5-6. pp. 466-470.
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