Hyperfine Interactions

, Volume 181, Issue 1–3, pp 59–68 | Cite as

Anomalous H/D isotope effect on 35Cl NQR frequencies in piperidinium p-chlorobenzoate

  • Ryo Nakano
  • Hisashi HondaEmail author
  • Taiki Kimura
  • Eiichi Nakata
  • Satoshi Takamizawa
  • Sumiko Noro
  • Shin’ichi Ishimaru


Anomalous isotope effects were detected in the 35Cl nuclear quadrupole resonance (NQR) frequency of piperidinium p-chlrobenzoate (C5H10NH· ClC6H4COOH) by deuteration of hydrogen atoms. The atoms were determined to form two kinds of N–H···O type H-bonds in the crystal structure. Large frequency shifts of the 35Cl resonance lines reaching 288 kHz at 77 K and 278 kHz at room temperature were caused upon deuteration, in spite of the fact that the Cl atoms in the molecule do not form hydrogen bonds in the crystal. Results of single crystal X-ray diffraction measurements and density-functional-theorem calculations suggest that a dihedral-angle change of 1.8° between benzene and the piperidine ring contributes to 35Cl NQR anomalous frequency shifts.


Anomalous H/D isotope effect 35Cl NQR frequency 


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Copyright information

© Springer Science+Business Media B.V. 2008

Authors and Affiliations

  • Ryo Nakano
    • 1
  • Hisashi Honda
    • 1
    • 2
    Email author
  • Taiki Kimura
    • 2
  • Eiichi Nakata
    • 1
  • Satoshi Takamizawa
    • 1
    • 2
  • Sumiko Noro
    • 1
    • 2
  • Shin’ichi Ishimaru
    • 3
  1. 1.Graduate School of Integrated ScienceYokohama City UniversityYokohamaJapan
  2. 2.Faculty of ScienceYokohama City UniversityYokohamaJapan
  3. 3.Department of Green and Sustainable ChemistryTokyo Denki UniversityTokyoJapan

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