Theoretical characterization of linear [n]-ladderanes and some isomers

J. C. Santos, P. Fuentealba

Resultado de la investigación: Article

11 Citas (Scopus)

Resumen

The electronic structure of the first members of the ladderane family has been theoretically studied. The compounds are predicted to be highly symmetric and stable. Their geometries, heat of formation, vibrational frequencies and NMR spectra have been calculated and analyzed. The reported theoretical results can be useful for the experimental detection of this interesting family of molecules.

Idioma originalEnglish
Páginas (desde-hasta)449-454
Número de páginas6
PublicaciónChemical Physics Letters
Volumen377
N.º3-4
DOI
EstadoPublished - 15 ago 2003

Huella dactilar

heat of formation
Vibrational spectra
Isomers
Electronic structure
isomers
Nuclear magnetic resonance
electronic structure
nuclear magnetic resonance
Molecules
Geometry
geometry
molecules
Hot Temperature

ASJC Scopus subject areas

  • Physics and Astronomy(all)
  • Physical and Theoretical Chemistry

Citar esto

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Theoretical characterization of linear [n]-ladderanes and some isomers. / Santos, J. C.; Fuentealba, P.

En: Chemical Physics Letters, Vol. 377, N.º 3-4, 15.08.2003, p. 449-454.

Resultado de la investigación: Article

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