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1 H and 31 P NMR studies of rotational isomerism in phosphorus analogues of aspartic acid, 3‐amino‐3‐phosphonatopropionic and 3‐amino‐3‐(methylphosphinato) propionic acids
Author(s) -
Siatecki Zdzisław,
Kozłowski Henryk
Publication year - 1981
Publication title -
organic magnetic resonance
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.483
H-Index - 72
eISSN - 1097-458X
pISSN - 0030-4921
DOI - 10.1002/mrc.1270170306
Subject(s) - vicinal , chemistry , conformational isomerism , amino acid , proton , aspartic acid , stereochemistry , phosphorus , coupling constant , medicinal chemistry , molecule , organic chemistry , biochemistry , physics , particle physics , quantum mechanics
By the use of the 1 H 1 H and 1 H 31 P coupling constants in two analogues of aspartic acid i.e. 3‐amino‐3‐phosphonatopropionic and 3‐amino‐3‐(methylphosphinato) propionic acids, it was shown that the six parameter formulation for the evaluation of mole fractions of three staggered ethanic rotamers is not necessarily better than the two parameter formulation in this system. The results allowed the recommendation of the following values for the two vicinal proton parameters i.e. J (HH)g=2.3, J (HH) t =13.9 and for the two vicinal proton‐phosphorus parameters i.e. J (HP) g =4.2, J (HP) t =33.0 Hz.