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Ring currents and π-electron charges in the calculation of19F chemical shifts

✍ Scribed by Yu. B. Vysotskii


Book ID
112509852
Publisher
Springer
Year
1989
Tongue
English
Weight
459 KB
Volume
25
Category
Article
ISSN
0040-5760

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The relationship between 19F chemical sh
✍ William P. Dailey 📂 Article 📅 1986 🏛 Elsevier Science 🌐 French ⚖ 200 KB

Ab initio calculations for a series of perfluorinated annulenes suggest that there is a linear correlation between the total charge density at fluorine and the fluorine chemical shift. The STO-30 basis set overestimates the degree of pi-electron donation by fluorine.