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Syntheses, geometry optimization, and electronic structure of N -and C -substituted benzonaphthyridines
Deska, M. and Śliwa, W. Syntheses, geometry optimization, and electronic structure of N -and C -substituted benzonaphthyridines Chemical Papers, Vol.60, No. 1, 2006, 32-41
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Document type:
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Článok z časopisu / Journal Article |
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Collection:
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Chemical papers
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| Author(s) |
Deska, M.
Śliwa, W.
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| Title |
Syntheses, geometry optimization, and electronic structure of N -and C -substituted benzonaphthyridines
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| Journal name |
Chemical Papers
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| Publication date |
2006
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| Year available |
2006
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| Volume number |
60
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| Issue number |
1
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| ISSN |
0366-6352
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| Start page |
32
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| End page |
41
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| Place of publication |
Poland
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| Publisher |
Versita
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| Collection year |
2006
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| Language |
english
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| Subject |
250000 Chemical Sciences
250300 Organic Chemistry
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| Abstract/Summary |
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.
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