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1 August 2001 Identification of a Vibrational Frequency Corresponding to H-atom Translocation in Hypericin
B. M. Showalter, A. Datta, P. K. Chowdhury, J. Park, P. Bandyopadhyay, P. K. Choudhury, S. Kesavan, Y. Zeng, G. A. Kraus, M. S. Gordon, J. P. Toscano, J. W. Petrich
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Abstract

Using time-resolved infrared spectroscopy, ab initio quantum mechanical calculations and synthetic organic chemistry a region in the infrared spectrum of triplet hypericin has been found between 1400 and 1500 cm−1 corresponding to the translocation of the hydrogen atom between the enol and the keto oxygens, O···H···O. This result is discussed in the context of the photophysics of hypericin and of eventual measurements to observe directly the excited-state H-atom transfer.

B. M. Showalter, A. Datta, P. K. Chowdhury, J. Park, P. Bandyopadhyay, P. K. Choudhury, S. Kesavan, Y. Zeng, G. A. Kraus, M. S. Gordon, J. P. Toscano, and J. W. Petrich "Identification of a Vibrational Frequency Corresponding to H-atom Translocation in Hypericin," Photochemistry and Photobiology 74(2), 157-163, (1 August 2001). https://doi.org/10.1562/0031-8655(2001)074<0157:IOAVFC>2.0.CO;2
Received: 23 February 2001; Accepted: 1 May 2001; Published: 1 August 2001
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