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A Non–Karplus Effect: Evidence from Phosphorus Heterocycles and DFT Calculations of the Dependence of Vicinal Phosphorus-Hydrogen NMR Coupling Constants on Lone-Pair Conformation

[Image: see text] In contrast to literature reports of a Karplus-type curve that correlates (3)J(PH) with phosphorus-hydrogen dihedral angle, a recently-reported glycine-derived 1,3,2-oxazaphospholidine (7c) has two hydrogen atoms on the ring with identical PNCH dihedral angles but measured coupling...

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Autors principals: Hersh, William H., Lam, Sherrell T., Moskovic, Daniel J., Panagiotakis, Antonios J.
Format: Artigo
Idioma:Inglês
Publicat: 2012
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Accés en línia:https://ncbi.nlm.nih.gov/pmc/articles/PMC3377502/
https://ncbi.nlm.nih.gov/pubmed/22612503
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/jo3003776
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