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Semi-empirical SCF MO CI Calculation of the Π-Electron Structure of Hydroxy and Amino Derivatives of Anthracene Azaanalogues with Variable β-Approximation

J. Leška and P. Záhradník

Department of Organic Chemistry, Faculty of Natural Sciences, Komenský University, Bratislava 1

 

Abstract:  Using the method of Pariser, Parr and Pople with variable  -βapproximation, the authors studied the  Π-electron properties of some hydroxy and amino derivatives of anthracene azaanalogues. The calculated singlet excitation energies of the UV spectra agree very well with the measured ones.

Full paper in Portable Document Format: 2311-12a895.pdf

 

Chemical Papers 23 (11-12) 895–904 (1969)

Tuesday, June 18, 2024

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