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Structural Chemistry

Article . 2003 . Peer-reviewed

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Structural Chemistry

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On the Possibility of Using UV Spectroscopy as a Measure of the Low-Barrier Hydrogen Bond

descriptionPublicationkeyboard_double_arrow_right Article 01 Dec 2003Publisher:Springer Science and Business Media LLCJournal:Structural Chemistry, volume 14, pages 605-616 (issn: 1040-0400,

Authors: Jeffrey E. Miller; Christopher J. Halkides; Michael Messina; Lloyd A. Butler;

doi: 10.1023/b:stuc.0000007572.33582.1a

On the Possibility of Using UV Spectroscopy as a Measure of the Low-Barrier Hydrogen Bond

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Abstract

In many enzyme-catalyzed biochemical pathways, a short, strong hydrogen bond between an enzyme and substrate is an important structural feature. These bonds are termed low-barrier hydrogen bonds. In this paper, we show that UV spectra can be used as an experimental technique to determine if a system contains a low-barrier hydrogen bond (LBHB). We simulate, using the time-dependent view of UV spectroscopy, several different UV spectra: absorption, photodissociation, and emission, on systems containing a low-barrier hydrogen bond. We find several distinguishing spectral features in these UV spectra for systems that possess a LBHB.

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University of North Carolina at Chapel Hill
United States

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