𝔖 Bobbio Scriptorium
✦   LIBER   ✦

Experimental and Theoretical Study of Hyperconjugative Interaction Effects on NMR 1J CH Scalar Couplings

✍ Scribed by Contreras, Rubén H.; Esteban, Ángel L.; Díez, Ernesto; Della, Ernest W.; Lochert, Ian J.; dos Santos, Francisco P.; Tormena, Cláudio F.


Book ID
125442117
Publisher
American Chemical Society
Year
2006
Tongue
English
Weight
134 KB
Volume
110
Category
Article
ISSN
1089-5639

No coin nor oath required. For personal study only.


📜 SIMILAR VOLUMES


Intramolecular electric field effect on
✍ Dora G. de Kowalewski; Valdemar J. Kowalewski; Juan E. Peralta; Gernot Eskuche; 📂 Article 📅 1999 🏛 John Wiley and Sons 🌐 English ⚖ 116 KB

An experimental study of the e †ects of intramolecular electric Ðelds on 1J(C,H) coupling constants involving a formyl proton in a series of 5-X-salicylaldehydes is reported. The particularly large electric Ðeld component along the bond, calculated for leads to a measured substituent e †ect of 7.36

Influence of σ-hyperconjugative interact
✍ Rubén H. Contreras; Angel L. Esteban; Ernesto Díez; Ernest W. Della; Ian J. Loch 📂 Article 📅 2004 🏛 John Wiley and Sons 🌐 English ⚖ 115 KB

(13)C chemical shifts were measured for 18 1-X,3-CH(3)-bicyclo[1.1.1]pentanes and the corresponding (13)C substituent chemical shifts (SCSs) were compared with those measured previously for the corresponding 1-X-bicyclo[1.1.1]pentanes. DFT-B3LYP calculations of GIAO magnetic shielding constants and

NMR 3J(C1,H3) couplings in 1-X-bicyclo[1
✍ Verónica Barone; Juan E. Peralta; Rubén H. Contreras 📂 Article 📅 2001 🏛 John Wiley and Sons 🌐 English ⚖ 127 KB

## Abstract In this work a rationalization of the very large substituent effects on ^3^J(C~1~,H~3~) couplings in 1‐X‐bicyclo[1.1.1]pentanes is presented. The Fermi contact contribution to such couplings was calculated in a series of 13 X‐derivatives within the DFT–B3LYP framework using the finite p

Experimental and theoretical study of su
✍ Ernest W. Della; Ian J. Lochert; Nélida M. Peruchena; Gustavo A. Aucar; Rubén H. 📂 Article 📅 1996 🏛 John Wiley and Sons 🌐 English ⚖ 942 KB

A series of 23 bridgehead-substituted bicyclo[l.l.l]pentanes were synthesized and the 3J(Cl-H) coupling constants determined from their proton-coupled I3C NMR spectra. It was found that the values of the couplings are strongly dependent upon the type of substituent present, with powerful effects exe