Infrared absorption by a tunneling proton in crystalline 5-bromo-9-hydroxyphenalenone

¹ Department of Chemistry, Graduate School of Science, Osaka University 1-1 Machikaneyama-cho, Toyonaka, Osaka 560-0043, Japan
² Department of Chemistry, Faculty of Science, Toho University 2-2-1 Miyama Funabashi, Chiba 274-8510, Japan
³ Department of Basic Science, Graduate School of Science and Arts The University of Tokyo - 3-8-1 Komaba, Meguro-ku, Tokyo 153, Japan

Received: 22 February 1999
Accepted: 19 April 1999

Abstract

5-bromo-9-hydroxyphenalenone absorbs infrared radiation strongly at when cooled to 5 K. The absorption is attributed to a transition from the ground state to the first excited state of a tunneling proton in a double-well potential of the intramolecular hydrogen bond. The temperature dependence of the spectrum was studied in detail. The linewidth was exceptionally large. Two mechanisms of the broadening are discussed. The atomic motion in a deuterated crystal corresponding to the tunneling freezes at 34 K in a deuteration-induced phase transition. This is the first spectroscopic evidence for the absorption of radiation by a tunneling proton in a neat molecular crystal.