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Additivity relation for the proton-proton coupling constants of trisubstituted benzenes

โœ Scribed by D.G. De Kowalewski; R. Buitrago; R. Yommi

Publisher
Elsevier Science
Year
1972
Tongue
English
Weight
343 KB
Volume
11
Category
Article
ISSN
0022-2860

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๐Ÿ“œ SIMILAR VOLUMES

Additivity of the proton affinity of pol
Additivity of the proton affinity of polysubstituted benzenes: the ipso position
โœ Zvonimir B. Maksiฤ‡; Mirjana Eckert-Maksiฤ‡; Martin Klessinger ๐Ÿ“‚ Article ๐Ÿ“… 1996 ๐Ÿ› Elsevier Science ๐ŸŒ English โš– 363 KB

It is shown, by the MP2(fc)/6-31G \* \*//HF/6-31G\* + ZPE(HF/6-31G\*) theoretical model and concomitant use of homodesmic reactions, that the ipso proton affinities in polyfiuorinated benzenes follow a simple additivity rule. Performance of the latter is good, as evidenced by a low average absolute