NDLI: Two-Dimensional UV–vis/NMR Correlation Spectroscopy: A Heterospectral Signal Assignment of Hydrogen-Bonded Complexes

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Two-Dimensional UV–vis/NMR Correlation Spectroscopy: A Heterospectral Signal Assignment of Hydrogen-Bonded Complexes

Content Provider	Semantic Scholar
Author	Koeppe, Benjamin Tolstoy, Peter M. Nibbering, Erik T. J. Elsaesser, Thomas
Copyright Year	2011
Abstract	We explore in a combined UV–vis/NMR approach the hydrogen-bonded complexes of 2-chloro-4-nitrophenol (CNP) with acetate anion as a model for amino acid side-chain interactions. For the first time, we present two-dimensional UV–vis/NMR correlation spectra, measured simultaneously for the same sample inside of the magnet of a NMR spectrometer. Synchronous and asynchronous 2D plots allow us to monitor the formation of hydrogen-bonded complexes, assign the signals to specific species, and finally estimate the geometry of a hydrogen-bonded 1:1 heteroconjugated anion coexisting with four other anionic species formed in CD2Cl2 solution at 180 K. Combined analysis of NMR and UV–vis spectra with the help of previously published hydrogen-bond correlations shows that the hydrogen bond in the heteroconjugate is of the CNP–O–···HOOCCH3 type with r(O···O) ≈ 2.48 A and the average bridging proton displacement from the hydrogen bond center of about 0.18 A.
Starting Page	1106
Ending Page	1110
Page Count	5
File Format	PDF HTM / HTML
DOI	10.1021/jz200285c
Volume Number	2
Alternate Webpage(s)	https://www.avantes.com/images/Whitepapers/Two-Dimensional_UVVISNMR_Correlation_Spectroscopy.pdf
Alternate Webpage(s)	https://doi.org/10.1021/jz200285c
Language	English
Access Restriction	Open
Content Type	Text
Resource Type	Article

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