Relative signs of three-bond fluorine-carbon and four-bond fluorine-hydrogen couplings in 2-substituted fluorobenzenes

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In a series of 2-X-fluorobenzenes, the relative signs between 3J(CF) and the corresponding 4J(HF) couplings were determined. In most cases like signs were found. However, for the coupling pathway involving the X group, unlike signs were found for X = CN, NCS and NO2. For other electronegative substi...

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Autor principal: Rae, I.D
Otros Autores: Weigold, J.A, De Kowalewski, D.G, Biekofsky, R.R, Contreras, Rubén Horacio
Formato: Capítulo de libro
Lenguaje:Inglés
Publicado: 1996
Acceso en línea:Registro en Scopus
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100 1 |a Rae, I.D. 
245 1 0 |a Relative signs of three-bond fluorine-carbon and four-bond fluorine-hydrogen couplings in 2-substituted fluorobenzenes 
260 |c 1996 
270 1 0 |m Rae, I.D.; Victoria University of Technology, P.O. Box 14428 MCMC, Melbourne, Vic. 8001, Australia 
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504 |a Scuseria, G.E., Engelmann, A.R., Contreras, R.H., (1982) Theor. Chim. Acta, 61, p. 49 
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504 |a Rae, I.D., Weigold, J.A., Contreras, R.H., Yamamoto, G., (1992) Magn. Reson. Chem., 30, p. 1047 
504 |a Cholli, A.L., (1981) J. Magn. Reson., 42, p. 501. , and references cited therein 
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504 |a Kowalewski, J., (1982) Annu. Rep. NMR Spectrosc., 12, p. 81 
504 |a Engelmann, A.R., Scuseria, G.E., Contreras, R.H., (1982) J. Magn. Reson., 50, p. 21 
504 |a Natiello, M.A., Scuseria, G.E., Contreras, R.H., (1983) J. Mol. Struct. Theochem, 105, p. 233 
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506 |2 openaire  |e Política editorial 
520 3 |a In a series of 2-X-fluorobenzenes, the relative signs between 3J(CF) and the corresponding 4J(HF) couplings were determined. In most cases like signs were found. However, for the coupling pathway involving the X group, unlike signs were found for X = CN, NCS and NO2. For other electronegative substituents, 4J(H3F) couplings were found to have too small a magnitude to permit determination of their signs with respect to 3J(C3F). No adequate correlation between the algebraic values of 3J(C3F) couplings and the electronegativity of the substituent placed at ring position 2 was found. Some speculative arguments are advanced in order to rationalize the observed trend.  |l eng 
593 |a Victoria University of Technology, P.O. Box 14428 MCMC, Melbourne, Vic. 8001, Australia 
593 |a Department of Chemistry, Monash University, Clayton, Vic. 3168, Australia 
593 |a Departamento de Fisica, Fac. de Ciencias Exactas y Naturales, Pabellón 1, 1428 Buenos Aires, Argentina 
690 1 0 |a CARBON-FLUORINE COUPLING 
690 1 0 |a HYDROGEN-FLUORINE COUPLING 
690 1 0 |a RELATIVE SIGNS 
700 1 |a Weigold, J.A. 
700 1 |a De Kowalewski, D.G. 
700 1 |a Biekofsky, R.R. 
700 1 |a Contreras, Rubén Horacio 
773 0 |d 1996  |g v. 34  |h pp. 181-184  |k n. 3  |p Magn. Reson. Chem.  |x 07491581  |w (AR-BaUEN)CENRE-972  |t Magnetic Resonance in Chemistry 
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