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Syntheses, geometry optimization, and electronic structure of N-and C-substituted benzonaphthyridines

M. Deska and W. Śliwa

Institute of Chemistry and Environmental Protection, Jan Długosz University of Częsłochowa, 42-201 Częsłochowa, Poland

 

E-mail: w.sliwa@ajd.czest.pl

Received: 15 February 2005  Revised: 2 November 2005  Accepted: 9 November 2005

Abstract: Synthesis of N-and C-substituted derivatives of benzo[h][1,6]naphthyridine, bearing 2-hydroxyethyl group has been made by quaternization reaction and by condensation of corresponding methylbenzonaphthyridines with formaldehyde. For six derivatives of isomeric benzo[c][1,5]-, benzo[h][1,6]-, and benzo[f][1,7]naphthyridines the 13C NMR spectra are discussed.
For ten compounds the geometry was optimized with the AM1 and, in one case also with the ab initio 6–31G method; their effective charge values have also been calculated.

Full paper is available at www.springerlink.com.

DOI: 10.2478/s11696-006-0006-z

 

Chemical Papers 60 (1) 32–41 (2006)

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