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1 H MAS , 13 C CP / MAS , and 2 H NMR spectra studies of piperidinium p-chlorobenzoate
| Content Provider | Semantic Scholar |
|---|---|
| Author | Nakano, Ryo Honda, Hisashi Ishimaru, Shin’ichi Noro, Sumiko |
| Copyright Year | 2012 |
| Abstract | Anomalous H/D isotope effects were detected in the 1H MAS NMR spectra of piperidinium p-chlorobenzoate (C5H10NH2+·ClC6H4COO−) upon deuterium substitution of hydrogen atoms which form two kinds of N-H· · · O H-bonds in the crystal; in contrast to these spectra, only slight chemical shifts were recorded in 13C CP/MAS NMR spectra. 2H NMR spectrum of the deuterated sample show quadrupole coupling constants of 148 and 108 kHz, and reveal that there are a few motions contributing to the electric-field modulation of the 2H nucleus. The 1H MAS NMR spectra of piperidinium p-chlrobenzoate-d16 (C5D10ND2+·ClC6D4COO−) and -d14 (C5D10NH2+·ClC6D4COO−) revealed that the change in the envelope is caused by chemical shifts of each signal upon deuteration. Calculations based on the densityfunctional-theory showed that the N-H distance along the crystallographic a-axis mainly contributes to the anomalous isotope effects on 1H MAS NMR envelopes. |
| File Format | PDF HTM / HTML |
| Alternate Webpage(s) | https://espace.cern.ch/ISOLDE-SSP/HFI/HFI2012/Nakano%20Preprint%20Hyperfine%20Interactions%20222%20(2013)%2043-54.pdf |
| Language | English |
| Access Restriction | Open |
| Content Type | Text |
| Resource Type | Article |
