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Application of maximum overlap method to calculation of hybrid orbitals in ethane molecule

S. Biskupič and P. Pelikán

Department of Physical Chemistry, Slovak Technical University, 880 37 Bratislava

 

Abstract:  The criterion of maximum overlap was used for the calculation of hybrid atomic orbitals in ethane molecule. The calculation shows, that bonds in this molecule are formed by non-equivalent hybrid orbitals (for Burns АО sp2.93 for С—H bonds and sp3.24 for С—С bond). The calculated bond angles in this molecule are in agreement with experimental data.

Full paper in Portable Document Format: 301a9.pdf

 

Chemical Papers 30 (1) 9–12 (1976)

Thursday, June 17, 2021

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