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Theoretical study of spin-spin coupling across the hydrogen (O-H⋯N) bond in adenosine derivatives
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Theoretical study of spin-spin coupling across the hydrogen (O-H⋯N) bond in adenosine derivatives
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Journal Article
Theoretical study of spin-spin coupling across the hydrogen (O-H⋯N) bond in adenosine derivatives
2009
Overview
The study of spin-spin coupling constants across hydrogen bond provides useful information about configuration of complexes. The interesting case of such interactions was observed as a coupling across an intramolecular hydrogen bond in 8-bromo-2′,3′-
O
-isopropylideneadenosine between the -CH
2
OH (at 5″ proton) group and the nitrogen atom of adenine. In this paper we report theoretical investigations on the
4h
J
NH
coupling across the H″-C-O-H···N hydrogen bond in adenosine derivatives in various solvent models.
Figure
Coupling constants in 8-bromo-2′,3′-
O
-isopropylideneadenosine
Publisher
Springer-Verlag,Springer Nature B.V
Subject
/ Adenosine - analogs & derivatives
/ Characterization and Evaluation of Materials
/ Chemistry and Materials Science
/ Computer Appl. in Life Sciences
/ Computer Applications in Chemistry
/ Geometry
/ Hydrogen
/ Kinetics
/ Magnetic Resonance Spectroscopy - methods
/ Nitrogen
/ Protons
/ Solvents
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