1966
DOI: 10.1021/jo01348a049
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Guanidinium Ions. I. A Nuclear Magnetic Resonance Study of Proton Exchange in Methylguanidinium Salts1,2

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“…For urea, the Blizzard-Santry calculation gives values of -25.6 Hz and +3.0 Hz for the contact and orbital contributions respectively for an overall 'J(CN) = -22.6 Hz. These 13 results are consistent with recent suggestions that the Blizzard-Santry approach is useful for calculations of carbon-nitrogen coupling constants." The poor fit of the 'J(NH) value very possibly reflects the neglect of solvent interactions in the calculations.…”
Section: Resultssupporting
confidence: 92%
“…For urea, the Blizzard-Santry calculation gives values of -25.6 Hz and +3.0 Hz for the contact and orbital contributions respectively for an overall 'J(CN) = -22.6 Hz. These 13 results are consistent with recent suggestions that the Blizzard-Santry approach is useful for calculations of carbon-nitrogen coupling constants." The poor fit of the 'J(NH) value very possibly reflects the neglect of solvent interactions in the calculations.…”
Section: Resultssupporting
confidence: 92%