An extension of the Beierbeck and Saunders parameters for the semiempirical calculation of the 13C nuclear magnetic resonance chemical shifts: the gauche-γ(X) effect in epoxides

An additional substituent parameter, the gauche-γ(X), was derived and a correction for the HC parameter of Beierbeck and Saunders is proposed; this new parameter would allow the semiempirical calculation of 13 C nuclear magnetic resonance shifts of six-membered ring epoxides and, consequently, their...

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Veröffentlicht in:	Canadian journal of chemistry 1986-03, Vol.64 (3), p.552-555
Hauptverfasser:	Colombo, Maria I, Bustos, Daniel A, Gonzalez-Sierra, Manuel, Olivieri, Alejandro C, Ruveda, Edmundo A
Format:	Artikel
Sprache:	eng
Schlagworte:	Atomic and molecular physics Exact sciences and technology Molecular properties and interactions with photons Nuclear resonance and relaxation Physics
Online-Zugang:	Volltext
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Zusammenfassung:	An additional substituent parameter, the gauche-γ(X), was derived and a correction for the HC parameter of Beierbeck and Saunders is proposed; this new parameter would allow the semiempirical calculation of 13 C nuclear magnetic resonance shifts of six-membered ring epoxides and, consequently, their stereochemistry.
ISSN:	0008-4042 1480-3291
DOI:	10.1139/v86-088