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The through-space transmission of 13C19F coupling constants via an intermediate bond: A polarization propagator analysis

✍ Scribed by Mario A. Natiello; Rubén H. Contreras

Publisher
Elsevier Science
Year
1984
Tongue
English
Weight
404 KB
Volume
104
Category
Article
ISSN
0009-2614

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✦ Synopsis

Inner projections of the polarization propagator were used to study the indirect through-space transmission of the Fermi contact tern of C-F couplings via a C-X (X = F, H) intermediate bond. When X = 33 a large capability for trans- mitting this component is observed. But for X = F a notable inhibition of this transmission mechanism is observed The role of the fluorine lone pairs in Uris behaviour is discussed.

📜 SIMILAR VOLUMES

A polarization propagator analysis of th
A polarization propagator analysis of the through-space transmission of non-contact terms of FF coupling constants
✍ M.A. Natiello; G.E. Scuseria; R.H. Contreras 📂 Article 📅 1984 🏛 Elsevier Science 🌐 English ⚖ 318 KB

The IPPP method (inner projections of the polarization propagator) is extended to include the orbital and dipolar interactions of spin-spin coupling constants. As an example. calculations of the through-space components of F-F couplings are carried out at the INDO level of approximation in fluorinat