Deuterium-isotopieeffekte auf die 13C-chemischen verschiebungen und kohlenstoff-deuterium kopplungskonstanten in deuterierten verbindungen |
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Authors: | E Breitmaier G Jung W Voelter L Pohl |
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Institution: | 1. E. Merck AG, 61 Darmstadt Germany |
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Abstract: | The isotope effects on the 13C NMR chemical shifts and coupling constants (13C1H and 13C1H) have been determined by pulse Fourier transform 13C NMR investigation at 22·63 MHz for more than 30 common deuterated and protonated solvents. The observed isotope effects correlate with hybridization and electron withdrawal at the coupling carbon within the series of comparable compounds. In agreement with MO-theoretical calculations a linear correlation between the JCD values of CDx groups and the JCH values of the corresponding CHx groups was found. The experimentally determined JCD values show an average deviation from the calculated line JCD = (γD/γH)JCH = 0·154 ×JCH on the order of± 1 Hz. |
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