Unusual through-space, TS, pathway for the transmission of JFHf coupling: 2-fluorobenzaldehyde study case

The 1H NMR spectra of the title compound in nonpolar and polar solvents and theoretical calculation of spin-spin coupling constants (SSCCs) show that TSJFHf SSCC, where TS stands for "through-space", in polar solvents is amenable to measurement only in the trans conformer. The mechanisms f...

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Autores principales: Favaro, D.C., Contreras, R.H., Tormena, C.F.
Formato: JOUR
Materias:
H NMR spectra
Hydrogen atoms
Polar solvents
Spatial proximity
Spin-spin coupling constants
Study case
Theoretical calculations
Title compounds
Electronic structure
Nuclear magnetic resonance spectroscopy
Atoms
Acceso en línea:http://hdl.handle.net/20.500.12110/paper_10895639_v117_n33_p7939_Favaro
Aporte de:
Biblioteca Digital - Facultad de Ciencias Exactas y Naturales (UBA) de Universidad de Buenos Aires
id todo:paper_10895639_v117_n33_p7939_Favaro
record_format dspace
spelling todo:paper_10895639_v117_n33_p7939_Favaro2023-10-03T16:04:47Z Unusual through-space, TS, pathway for the transmission of JFHf coupling: 2-fluorobenzaldehyde study case Favaro, D.C. Contreras, R.H. Tormena, C.F. H NMR spectra Hydrogen atoms Polar solvents Spatial proximity Spin-spin coupling constants Study case Theoretical calculations Title compounds Electronic structure Nuclear magnetic resonance spectroscopy Atoms The 1H NMR spectra of the title compound in nonpolar and polar solvents and theoretical calculation of spin-spin coupling constants (SSCCs) show that TSJFHf SSCC, where TS stands for "through-space", in polar solvents is amenable to measurement only in the trans conformer. The mechanisms for transmission pathways to such unusual SSCCs are rationalized in terms of the molecular electronic structure. It is stressed that such a result calls for some caution when intending to use TSJFH as a probe to detect the spatial proximity between fluorine and hydrogen atoms. © 2013 American Chemical Society. Fil:Contreras, R.H. 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_10895639_v117_n33_p7939_Favaro
institution Universidad de Buenos Aires
institution_str I-28
repository_str R-134
collection Biblioteca Digital - Facultad de Ciencias Exactas y Naturales (UBA)
topic H NMR spectra
Hydrogen atoms
Polar solvents
Spatial proximity
Spin-spin coupling constants
Study case
Theoretical calculations
Title compounds
Electronic structure
Nuclear magnetic resonance spectroscopy
Atoms
spellingShingle H NMR spectra
Hydrogen atoms
Polar solvents
Spatial proximity
Spin-spin coupling constants
Study case
Theoretical calculations
Title compounds
Electronic structure
Nuclear magnetic resonance spectroscopy
Atoms
Favaro, D.C.
Contreras, R.H.
Tormena, C.F.
Unusual through-space, TS, pathway for the transmission of JFHf coupling: 2-fluorobenzaldehyde study case
topic_facet H NMR spectra
Hydrogen atoms
Polar solvents
Spatial proximity
Spin-spin coupling constants
Study case
Theoretical calculations
Title compounds
Electronic structure
Nuclear magnetic resonance spectroscopy
Atoms
description The 1H NMR spectra of the title compound in nonpolar and polar solvents and theoretical calculation of spin-spin coupling constants (SSCCs) show that TSJFHf SSCC, where TS stands for "through-space", in polar solvents is amenable to measurement only in the trans conformer. The mechanisms for transmission pathways to such unusual SSCCs are rationalized in terms of the molecular electronic structure. It is stressed that such a result calls for some caution when intending to use TSJFH as a probe to detect the spatial proximity between fluorine and hydrogen atoms. © 2013 American Chemical Society.
format JOUR
author Favaro, D.C.
Contreras, R.H.
Tormena, C.F.
author_facet Favaro, D.C.
Contreras, R.H.
Tormena, C.F.
author_sort Favaro, D.C.
title Unusual through-space, TS, pathway for the transmission of JFHf coupling: 2-fluorobenzaldehyde study case
title_short Unusual through-space, TS, pathway for the transmission of JFHf coupling: 2-fluorobenzaldehyde study case
title_full Unusual through-space, TS, pathway for the transmission of JFHf coupling: 2-fluorobenzaldehyde study case
title_fullStr Unusual through-space, TS, pathway for the transmission of JFHf coupling: 2-fluorobenzaldehyde study case
title_full_unstemmed Unusual through-space, TS, pathway for the transmission of JFHf coupling: 2-fluorobenzaldehyde study case
title_sort unusual through-space, ts, pathway for the transmission of jfhf coupling: 2-fluorobenzaldehyde study case
url http://hdl.handle.net/20.500.12110/paper_10895639_v117_n33_p7939_Favaro
work_keys_str_mv AT favarodc unusualthroughspacetspathwayforthetransmissionofjfhfcoupling2fluorobenzaldehydestudycase
AT contrerasrh unusualthroughspacetspathwayforthetransmissionofjfhfcoupling2fluorobenzaldehydestudycase
AT tormenacf unusualthroughspacetspathwayforthetransmissionofjfhfcoupling2fluorobenzaldehydestudycase
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