Heteronuclear Vicinal Coupling Constants and Site-Specific Isotopic Substitution in the Investigation of Rotational Isomerism in Leucine

Alan J. Fischman; Herman R. Wyssbrod; William C. Agosta; David Cowburn

doi:10.1021/ja00469a009

Heteronuclear Vicinal Coupling Constants and Site-Specific Isotopic Substitution in the Investigation of Rotational Isomerism in Leucine

Alan J. Fischman, Herman R. Wyssbrod, William C. Agosta, David Cowburn

Research output: Contribution to journal › Article › peer-review

31 Scopus citations

Abstract

Vicinal coupling constants about the Cα-Cβ bond between combinations of 1H, 13C, and 15N nuclei were measured in three isotopic isomers of leucine. The couplings found were used to calculate populations of staggered rotamers. These values, which are overdetermined by the several coupling constants, are found to be self-consistent for both anionic and cationic forms. The necessity for simplification of the spin system by substitution of deuterium for hydrogen is discussed. A statistical method of using the observed couplings to make stereochemical assignments is introduced.

Original language	English (US)
Pages (from-to)	54-58
Number of pages	5
Journal	Journal of the American Chemical Society
Volume	100
Issue number	1
DOIs	https://doi.org/10.1021/ja00469a009
State	Published - 1978
Externally published	Yes

ASJC Scopus subject areas

Catalysis
General Chemistry
Biochemistry
Colloid and Surface Chemistry

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abstract = "Vicinal coupling constants about the Cα-Cβ bond between combinations of 1H, 13C, and 15N nuclei were measured in three isotopic isomers of leucine. The couplings found were used to calculate populations of staggered rotamers. These values, which are overdetermined by the several coupling constants, are found to be self-consistent for both anionic and cationic forms. The necessity for simplification of the spin system by substitution of deuterium for hydrogen is discussed. A statistical method of using the observed couplings to make stereochemical assignments is introduced.",

author = "Fischman, {Alan J.} and Wyssbrod, {Herman R.} and Agosta, {William C.} and David Cowburn",

year = "1978",

doi = "10.1021/ja00469a009",

language = "English (US)",

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T1 - Heteronuclear Vicinal Coupling Constants and Site-Specific Isotopic Substitution in the Investigation of Rotational Isomerism in Leucine

AU - Fischman, Alan J.

AU - Wyssbrod, Herman R.

AU - Agosta, William C.

AU - Cowburn, David

PY - 1978

Y1 - 1978

N2 - Vicinal coupling constants about the Cα-Cβ bond between combinations of 1H, 13C, and 15N nuclei were measured in three isotopic isomers of leucine. The couplings found were used to calculate populations of staggered rotamers. These values, which are overdetermined by the several coupling constants, are found to be self-consistent for both anionic and cationic forms. The necessity for simplification of the spin system by substitution of deuterium for hydrogen is discussed. A statistical method of using the observed couplings to make stereochemical assignments is introduced.

AB - Vicinal coupling constants about the Cα-Cβ bond between combinations of 1H, 13C, and 15N nuclei were measured in three isotopic isomers of leucine. The couplings found were used to calculate populations of staggered rotamers. These values, which are overdetermined by the several coupling constants, are found to be self-consistent for both anionic and cationic forms. The necessity for simplification of the spin system by substitution of deuterium for hydrogen is discussed. A statistical method of using the observed couplings to make stereochemical assignments is introduced.

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Heteronuclear Vicinal Coupling Constants and Site-Specific Isotopic Substitution in the Investigation of Rotational Isomerism in Leucine

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