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

Research output: Contribution to journalArticle

Abstract

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.

Details

Authors
  • Birute Mikulskiene
  • Alytis Gruodis
  • Valdas Sablinskas
  • Bengt Nelander
Organisations
Research areas and keywords

Subject classification (UKÄ) – MANDATORY

  • Atom and Molecular Physics and Optics

Keywords

  • Hydrogen halide complexes, Stabilities, Quantum chemical calculations, Ethylene, Acetylene
Original languageEnglish
Pages (from-to)733-741
JournalSpectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy
Volume59
Issue number4
Publication statusPublished - 2003
Publication categoryResearch
Peer-reviewedYes

Bibliographic note

The information about affiliations in this record was updated in December 2015. The record was previously connected to the following departments: Chemical Physics (S) (011001060)