Artículo

Contreras, R.H.; Giribet, C.G.; De Azúa, M.C.R.; Cavasotto, C.N.; Aucar, G.A.; Krivdin, L.B. "Quantum chemical analysis of the orientational lone-pair effect on spin-spin coupling constants" (1990) Journal of Molecular Structure: THEOCHEM. 210(C):175-186
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Abstract:

The quantum-chemical analysis of factors defining the stereospecific behaviour of nuclear spin-spin coupling constants is shown to be an important aid in obtaining experimental information on molecular structures from high-resolution NMR spectroscopy. The analyses presented in this paper are based on the contributions from localized molecular orbitais within the polarization propagator approach (CLOPPA) method and examples are given where factors defining heteroatom lone-pair orientational effects on spin-spin coupling constants are discussed. © 1990.

Registro:

Documento: Artículo
Título:Quantum chemical analysis of the orientational lone-pair effect on spin-spin coupling constants
Autor:Contreras, R.H.; Giribet, C.G.; De Azúa, M.C.R.; Cavasotto, C.N.; Aucar, G.A.; Krivdin, L.B.
Filiación:Departamento de Física, Facultad de Ciencias Exactas y Naturales, UBA, Ciudad Universitaria, Pab.1, (1428), Buenos AiresArgentina
Departamento de Física, Facultad de Ciencias Exactas y Agrimensura, UNNE, (3600) CorrientesArgentina
Department of Chemistry, University of Irkutsk, 664003, Russian Federation
Año:1990
Volumen:210
Número:C
Página de inicio:175
Página de fin:186
DOI: http://dx.doi.org/10.1016/0166-1280(90)80039-Q
Título revista:Journal of Molecular Structure: THEOCHEM
Título revista abreviado:J. Mol. Struct. THEOCHEM
ISSN:01661280
CODEN:THEOD
Registro:https://bibliotecadigital.exactas.uba.ar/collection/paper/document/paper_01661280_v210_nC_p175_Contreras

Referencias:

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Citas:

---------- APA ----------
Contreras, R.H., Giribet, C.G., De Azúa, M.C.R., Cavasotto, C.N., Aucar, G.A. & Krivdin, L.B. (1990) . Quantum chemical analysis of the orientational lone-pair effect on spin-spin coupling constants. Journal of Molecular Structure: THEOCHEM, 210(C), 175-186.
http://dx.doi.org/10.1016/0166-1280(90)80039-Q
---------- CHICAGO ----------
Contreras, R.H., Giribet, C.G., De Azúa, M.C.R., Cavasotto, C.N., Aucar, G.A., Krivdin, L.B. "Quantum chemical analysis of the orientational lone-pair effect on spin-spin coupling constants" . Journal of Molecular Structure: THEOCHEM 210, no. C (1990) : 175-186.
http://dx.doi.org/10.1016/0166-1280(90)80039-Q
---------- MLA ----------
Contreras, R.H., Giribet, C.G., De Azúa, M.C.R., Cavasotto, C.N., Aucar, G.A., Krivdin, L.B. "Quantum chemical analysis of the orientational lone-pair effect on spin-spin coupling constants" . Journal of Molecular Structure: THEOCHEM, vol. 210, no. C, 1990, pp. 175-186.
http://dx.doi.org/10.1016/0166-1280(90)80039-Q
---------- VANCOUVER ----------
Contreras, R.H., Giribet, C.G., De Azúa, M.C.R., Cavasotto, C.N., Aucar, G.A., Krivdin, L.B. Quantum chemical analysis of the orientational lone-pair effect on spin-spin coupling constants. J. Mol. Struct. THEOCHEM. 1990;210(C):175-186.
http://dx.doi.org/10.1016/0166-1280(90)80039-Q