Prediction of Thermal Isomerization Temperatures of Substituted Benzocyclobutenes to o- Quinodimethanes Using Hardness, Polarizability and energies of σ, σ* and π* orbitals.
Al-Sabawi, A., Hussien, H., Alkazzaz, A. (2021). Prediction of Thermal Isomerization Temperatures of Substituted Benzocyclobutenes to o- Quinodimethanes Using Hardness, Polarizability and energies of σ, σ* and π* orbitals.. EKB Journal Management System, 64(10), 5433-5436. doi: 10.21608/ejchem.2021.50081.3057
Ammar H. Al-Sabawi; Hyffaa Y. Hussien; Abdulkhalik S. Alkazzaz. "Prediction of Thermal Isomerization Temperatures of Substituted Benzocyclobutenes to o- Quinodimethanes Using Hardness, Polarizability and energies of σ, σ* and π* orbitals.". EKB Journal Management System, 64, 10, 2021, 5433-5436. doi: 10.21608/ejchem.2021.50081.3057
Al-Sabawi, A., Hussien, H., Alkazzaz, A. (2021). 'Prediction of Thermal Isomerization Temperatures of Substituted Benzocyclobutenes to o- Quinodimethanes Using Hardness, Polarizability and energies of σ, σ* and π* orbitals.', EKB Journal Management System, 64(10), pp. 5433-5436. doi: 10.21608/ejchem.2021.50081.3057
Al-Sabawi, A., Hussien, H., Alkazzaz, A. Prediction of Thermal Isomerization Temperatures of Substituted Benzocyclobutenes to o- Quinodimethanes Using Hardness, Polarizability and energies of σ, σ* and π* orbitals.. EKB Journal Management System, 2021; 64(10): 5433-5436. doi: 10.21608/ejchem.2021.50081.3057

Prediction of Thermal Isomerization Temperatures of Substituted Benzocyclobutenes to o- Quinodimethanes Using Hardness, Polarizability and energies of σ, σ* and π* orbitals.

Egyptian Journal of Chemistry
Article 1, Volume 64, Issue 10, October 2021, Page 5433-5436  XML PDF (402.67 K)
Document Type: Original Article
DOI: 10.21608/ejchem.2021.50081.3057
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Authors
Ammar H. Al-Sabawi email orcid ; Hyffaa Y. Hussien; Abdulkhalik S. Alkazzaz
Department of Chemistry,College of Science, University of Mosul, Mosul, Iraq
Abstract
The prediction of Thermal Isomerization temperatures (IT) of benzocyclobutenes is useful for their applications in synthesis and polymerization. In this study, ITs were predicted by equations formulated from the hardness, of the products transition states or the difference between the hardness of product and transition state. Also, ITs predicted from the orbital energies of the σ, σ*, π and π* orbitals of the benzocyclobutenes.
Keywords
benzocyclobutenes; hardness; polarizability; isomerization temperatures; regression
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