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Coherent tunneling of proton in the intramolecular hydrogen bond of crystalline bromo-hydroxyphenalenone at low temperature

✍ Scribed by Takasuke Matsuo; Mitsuo Ohama; Tomoyuki Mochida; Tadashi Sugawara

Publisher: Elsevier Science
Year: 2004
Tongue: English
Weight: 247 KB
Volume: 700
Category: Article
ISSN: 0022-2860
DOI: 10.1016/j.molstruc.2004.03.019

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✦ Synopsis

Infrared absorption spectra of 5-bromo-9-hydroxyphenalenone were measured and analyzed in detail as a function of temperature. An intense and broad peak at 83 cm 21 occurring in the protonated crystal, but not in the deuterated analog, arises from the coherent tunneling motion of the hydrogen in the intramolecular hydrogen bond. Strong temperature dependence of the frequency and width of the tunneling peak determined by fitting the Gaussian or Lorentzian peak shape function is reproduced well by three-parameter functions representing the thermal population of the excited state of the tunneling proton.

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