On the stability of the hydrogen chloride complexes with ethylene and acetylene. A high resolution gas phase and ab initio study.
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.
Mikulskiene
Birute
B
Department of General Physics and Spectroscopy, Vilnius University, Universiteto str 3, Vilnius-2734, Lithuania.
Gruodis
Alytis
A
Sablinskas
Valdas
V
Nelander
Bengt
B
D000114:Acetylene / Q000737:chemistry*; D005030:Ethylenes / Q000737:chemistry*; D005740:Gases; D006851:Hydrochloric Acid / Q000737:chemistry*; D007700:Kinetics; D008956:Models, Chemical; D015233:Models, Statistical; D013053:Spectrophotometry; D013696:Temperature; D013816:Thermodynamics
D005030:Ethylenes; D005740:Gases; C036216:ethylene; D000114:Acetylene; D006851:Hydrochloric Acid