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On the stability of the hydrogen chloride complexes with ethylene and acetylene. A high resolution gas phase and ab initio study

Författare:
Publiceringsår: 2003
Språk: Engelska
Sidor: 733-741
Publikation/Tidskrift/Serie: Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy
Volym: 59
Nummer: 4
Dokumenttyp: Artikel
Förlag: Elsevier

Sammanfattning

The temperature dependencies of the intensities of the HCl stretching bands of the hydrogen chloride complexes with acetylene and ethylene have been used to obtain estimates of the dissociation enthalpies of the two complexes. Quantum chemical calculations on the Hartree Fock and DFT/B3LYP levels of theory have been combined with experimental data to give estimates of the intensities of the HCl stretching vibration in the two complexes.

Disputation

Nyckelord

  • Chemistry
  • Hydrogen halide complexes
  • Stabilities
  • Quantum chemical calculations
  • Ethylene
  • Acetylene

Övriga

Published
Yes
  • ISSN: 1386-1425

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