• DocumentCode
    2511263
  • Title

    Stretching vibration of the weak hydrogen bond in a terahertz spectrum

  • Author

    Takahashi, Masae ; Ishikawa, Yoichi ; Ito, Hiromasa

  • Author_Institution
    Grad. Sch. of Agric. Sci., Tohoku Univ., Sendai, Japan
  • fYear
    2012
  • fDate
    23-28 Sept. 2012
  • Firstpage
    1
  • Lastpage
    2
  • Abstract
    We clarify stretching vibration of the weak hydrogen bond which appears in a low-temperature terahertz spectrum by dispersion-corrected first-principles calculation. The calculated frequencies and those relative intensities reproduce the observed spectrum to accuracy not more than 10 cm-1.
  • Keywords
    ab initio calculations; hydrogen bonds; terahertz wave spectra; vibrational states; dispersion corrected first principles calculation; low temperature terahertz spectrum; weak hydrogen bond stretching vibration; Bonding; Crystals; Discrete Fourier transforms; Dispersion; Hydrogen; Indium tin oxide; Vibrations;
  • fLanguage
    English
  • Publisher
    ieee
  • Conference_Titel
    Infrared, Millimeter, and Terahertz Waves (IRMMW-THz), 2012 37th International Conference on
  • Conference_Location
    Wollongong, NSW
  • ISSN
    2162-2027
  • Print_ISBN
    978-1-4673-1598-2
  • Electronic_ISBN
    2162-2027
  • Type

    conf

  • DOI
    10.1109/IRMMW-THz.2012.6380302
  • Filename
    6380302
    • Link To Document
    https://search.isc.ac/dl/search/defaultta.aspx?DTC=49&DC=2511263