On thermal dehydrochlorination of model compounds for pvc iv. Mo study of the catalytic effect of hydrogen chloride

ABSTRACT The energy of stabilization of the transition due to the split-off molecules of HCl has been calculated for the elimination of HCl from ethyl chloride by using semiempirical

methods. The analysis of the character of the energy of stabilization has shown that the electrostatic and delocalization interactions in the system are mainly responsible for the magnitude

of this stabilization energy. The more polar the model of the transition state is supposed to be, the greater will be the value of the stabilization energy. Using this model, the catalytic

effect of HCl on the destruction of poly(vinyl chloride) with an ideal structure can be described. The analogous catalytic effect on the elimination of HCl from defect structures of

poly(vinyl chloride) is also discussed. Transition-state stabilization can explain the experimentally found decrease of activation energy of dehydrochlorination. SIMILAR CONTENT BEING VIEWED

BY OTHERS STRUCTURAL REACTIVITY RELATIONSHIP AND THERMOKINETIC INVESTIGATION OF OXIDATION OF SUBSTITUTED ANILINES BY IRIDIUM (IV) IN SOLUTION MEDIA Article Open access 24 March 2025

COMPUTATIONAL STUDY OF THE UNIMOLECULAR AND BIMOLECULAR DECOMPOSITION MECHANISMS OF PROPYLAMINE Article Open access 16 July 2020 A NEW TYPE OF C+⋯HΔ−(C=) BOND IN ADDUCTS OF VINYL

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references AUTHOR INFORMATION AUTHORS AND AFFILIATIONS * Institute of Chemistry of the Slovak Academy of Sciences, I Tvaroška * Polymer Institute of the Slovak Academy of Sciences, T Bleha *

Department of Physical Chemistry of the Slovak Technical University, L Valko Authors * I Tvaroška View author publications You can also search for this author inPubMed Google Scholar * T

Bleha View author publications You can also search for this author inPubMed Google Scholar * L Valko View author publications You can also search for this author inPubMed Google Scholar

RIGHTS AND PERMISSIONS Reprints and permissions ABOUT THIS ARTICLE CITE THIS ARTICLE Tvaroška, I., Bleha, T. & Valko, L. On Thermal Dehydrochlorination of Model Compounds for PVC IV. MO

Study of the Catalytic Effect of Hydrogen Chloride. _Polym J_ 7, 34–43 (1975). https://doi.org/10.1295/polymj.7.34 Download citation * Issue Date: 01 January 1975 * DOI:

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available for this article. Copy to clipboard Provided by the Springer Nature SharedIt content-sharing initiative KEYWORDS * PVC Model Compounds * Thermal Dehydrochlorination * Transition

State Theory * Stabilization Energy * Frontier Molecular Orbitals * MO Theory