On the stability of the hydrogen chloride complexes with ethylene and acetylene. A high resolution gas phase and ab initio study
(2003) In Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy 59(4). p.733-741- 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.
Please use this url to cite or link to this publication:
https://lup.lub.lu.se/record/132438
- author
- Mikulskiene, Birute ; Gruodis, Alytis ; Sablinskas, Valdas and Nelander, Bengt LU
- organization
- publishing date
- 2003
- type
- Contribution to journal
- publication status
- published
- subject
- keywords
- Hydrogen halide complexes, Stabilities, Quantum chemical calculations, Ethylene, Acetylene
- in
- Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy
- volume
- 59
- issue
- 4
- pages
- 733 - 741
- publisher
- Elsevier
- external identifiers
-
- wos:000181570100010
- pmid:12609622
- scopus:0037371790
- ISSN
- 1386-1425
- DOI
- 10.1016/S1386-1425(02)00219-6
- language
- English
- LU publication?
- yes
- additional info
- 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)
- id
- 7cf30b9e-d41d-412b-8570-6c5636dd68b2 (old id 132438)
- date added to LUP
- 2016-04-01 16:41:29
- date last changed
- 2022-01-28 21:28:33
@article{7cf30b9e-d41d-412b-8570-6c5636dd68b2, 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.}}, author = {{Mikulskiene, Birute and Gruodis, Alytis and Sablinskas, Valdas and Nelander, Bengt}}, issn = {{1386-1425}}, keywords = {{Hydrogen halide complexes; Stabilities; Quantum chemical calculations; Ethylene; Acetylene}}, language = {{eng}}, number = {{4}}, pages = {{733--741}}, publisher = {{Elsevier}}, series = {{Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy}}, title = {{On the stability of the hydrogen chloride complexes with ethylene and acetylene. A high resolution gas phase and ab initio study}}, url = {{http://dx.doi.org/10.1016/S1386-1425(02)00219-6}}, doi = {{10.1016/S1386-1425(02)00219-6}}, volume = {{59}}, year = {{2003}}, }