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Digitale Medien

Deuterium isotope effects on 13C NMR chemical shifts in 7,12-dimethylbenz[a]anthracene (1985)

Jones, D. W. ; Shaw, J. D.

Chichester : Wiley-Blackwell

Organic Magnetic Resonance 23 (1985), S. 787-789

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Details

ISSN: 0749-1581

Schlagwort(e): Chemistry ; Analytical Chemistry and Spectroscopy

Quelle: Wiley InterScience Backfile Collection 1832-2000

Thema: Chemie und Pharmazie

Notizen: The 100.6 MHz 13C off-resonance-decoupled and polarization-transfer NMR spectra of 7,12-dimethylbenz[a]anthracene and its 5-deuteriated analogue in deuteriated chloroform solution enabled assignments of the shifts of C-3 and C-5 to be revised, and other spectral ambiguities to be reduced. Negative, i.e. upfield, deuterium-induced secondary isotope shifts, Δδ = δ(C…D) - δ(C…H), were evident over one, two, three and four bonds and, also, small apparently significant positive shifts to the methyl carbons at the 7- and 12-positions, i.e. over five and six bonds, respectively. 13C—1H coupling constants were unaffected by the deuteriation.

Zusätzliches Material: 2 Tab.

Materialart: Digitale Medien

URL: http://dx.doi.org/10.1002/mrc.1260230922

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