Electric field effects on nuclear spin-spin coupling tensors and chiral discrimination via NMR spectroscopy

Nuclear magnetic resonance spectrometers presently available are unable to recognize the two mirror-image forms of a chiral molecule, because in the absence of a chiral solvent, the NMR spectral parameters (chemical shifts and spin-spin coupling constants) are identical for the two enantiomers. This...

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Autores principales: Pagola, G.I., Ferraro, M.B., Pelloni, S., Lazzeretti, P., Sauer, S.P.A.
Formato: JOUR
Materias:
Chiral discrimination
Electric dipole polarizability of nuclear spin-spin coupling
Enantiomeric molecules in disordered phase
Nuclear magnetic resonance spectroscopy
Acceso en línea:http://hdl.handle.net/20.500.12110/paper_1432881X_v129_n3-5_p359_Pagola
Aporte de:
Biblioteca Digital - Facultad de Ciencias Exactas y Naturales (UBA) de Universidad de Buenos Aires
id todo:paper_1432881X_v129_n3-5_p359_Pagola
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spelling todo:paper_1432881X_v129_n3-5_p359_Pagola2023-10-03T16:14:05Z Electric field effects on nuclear spin-spin coupling tensors and chiral discrimination via NMR spectroscopy Pagola, G.I. Ferraro, M.B. Pelloni, S. Lazzeretti, P. Sauer, S.P.A. Chiral discrimination Electric dipole polarizability of nuclear spin-spin coupling Enantiomeric molecules in disordered phase Nuclear magnetic resonance spectroscopy Nuclear magnetic resonance spectrometers presently available are unable to recognize the two mirror-image forms of a chiral molecule, because in the absence of a chiral solvent, the NMR spectral parameters (chemical shifts and spin-spin coupling constants) are identical for the two enantiomers. This paper discusses how chirality may nevertheless, at least in theory, be recognized in liquid-state NMR spectroscopy by applying strong d. c. electric fields and measuring a pseudoscalar contribution to nuclear spin-spin coupling polarizability. Calculations are reported for medium-size chiral molecules, (2R)-N-methyloxaziridine, (Ra)-1,3-dimethylallene, and (2R)-2-methyloxirane. The very small contributions provided by the pseudoscalar of nuclear spin-spin coupling polarizability seem rather difficult to detect via NMR experiments in disordered phase. © 2010 Springer-Verlag. Fil:Pagola, G.I. Universidad de Buenos Aires. Facultad de Ciencias Exactas y Naturales; Argentina. Fil:Ferraro, M.B. Universidad de Buenos Aires. Facultad de Ciencias Exactas y Naturales; Argentina. JOUR info:eu-repo/semantics/openAccess http://creativecommons.org/licenses/by/2.5/ar http://hdl.handle.net/20.500.12110/paper_1432881X_v129_n3-5_p359_Pagola
institution Universidad de Buenos Aires
institution_str I-28
repository_str R-134
collection Biblioteca Digital - Facultad de Ciencias Exactas y Naturales (UBA)
topic Chiral discrimination
Electric dipole polarizability of nuclear spin-spin coupling
Enantiomeric molecules in disordered phase
Nuclear magnetic resonance spectroscopy
spellingShingle Chiral discrimination
Electric dipole polarizability of nuclear spin-spin coupling
Enantiomeric molecules in disordered phase
Nuclear magnetic resonance spectroscopy
Pagola, G.I.
Ferraro, M.B.
Pelloni, S.
Lazzeretti, P.
Sauer, S.P.A.
Electric field effects on nuclear spin-spin coupling tensors and chiral discrimination via NMR spectroscopy
topic_facet Chiral discrimination
Electric dipole polarizability of nuclear spin-spin coupling
Enantiomeric molecules in disordered phase
Nuclear magnetic resonance spectroscopy
description Nuclear magnetic resonance spectrometers presently available are unable to recognize the two mirror-image forms of a chiral molecule, because in the absence of a chiral solvent, the NMR spectral parameters (chemical shifts and spin-spin coupling constants) are identical for the two enantiomers. This paper discusses how chirality may nevertheless, at least in theory, be recognized in liquid-state NMR spectroscopy by applying strong d. c. electric fields and measuring a pseudoscalar contribution to nuclear spin-spin coupling polarizability. Calculations are reported for medium-size chiral molecules, (2R)-N-methyloxaziridine, (Ra)-1,3-dimethylallene, and (2R)-2-methyloxirane. The very small contributions provided by the pseudoscalar of nuclear spin-spin coupling polarizability seem rather difficult to detect via NMR experiments in disordered phase. © 2010 Springer-Verlag.
format JOUR
author Pagola, G.I.
Ferraro, M.B.
Pelloni, S.
Lazzeretti, P.
Sauer, S.P.A.
author_facet Pagola, G.I.
Ferraro, M.B.
Pelloni, S.
Lazzeretti, P.
Sauer, S.P.A.
author_sort Pagola, G.I.
title Electric field effects on nuclear spin-spin coupling tensors and chiral discrimination via NMR spectroscopy
title_short Electric field effects on nuclear spin-spin coupling tensors and chiral discrimination via NMR spectroscopy
title_full Electric field effects on nuclear spin-spin coupling tensors and chiral discrimination via NMR spectroscopy
title_fullStr Electric field effects on nuclear spin-spin coupling tensors and chiral discrimination via NMR spectroscopy
title_full_unstemmed Electric field effects on nuclear spin-spin coupling tensors and chiral discrimination via NMR spectroscopy
title_sort electric field effects on nuclear spin-spin coupling tensors and chiral discrimination via nmr spectroscopy
url http://hdl.handle.net/20.500.12110/paper_1432881X_v129_n3-5_p359_Pagola
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