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Gas-Phase Acidities of Some Neutral Brønsted Superacids: A DFT and ab Initio Study

✍ Scribed by Koppel, Ilmar A.; Burk, Peeter; Koppel, Ivar; Leito, Ivo; Sonoda, Takaaki; Mishima, Masaaki

Book ID
118279686
Publisher
American Chemical Society
Year
2000
Tongue
English
Weight
197 KB
Volume
122
Category
Article
ISSN
0002-7863

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## Abstract An efficient but reasonably accurate B3LYP/6‐311+G(d,p)//B3LYP/6‐31G(d) computational procedure showed that pentasubstituted cyclopentadienes such as (CN)~5~C~5~H, (NO~2~)~5~C~5~H, and (NC)~5~C~5~H containing strongly electron‐withdrawing groups are neutral organic superacids of unprece