On the Possibility of Using UV Spectroscopy as a Measure of the Low-Barrier Hydrogen Bond |
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Authors: | Lloyd A. Butler Jeffrey E. Miller Christopher J. Halkides Michael Messina |
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Affiliation: | (1) Department of Chemistry, University of North Carolina Wilmington, Wilmington, North Carolina, 28403 |
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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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Keywords: | Low-barrier hydrogen bond photodissociation photoabsorption emission |
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