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Preparation, NMR, and Ab Initio/IGLO/GIAO‐MP2 Study of the Elusive Protonated Fluroformic Acid and Fluorocarbonyl Cation
Author(s) -
Olah George A.,
Burrichter Arwed,
Methew Thomas,
Vankar Yashwant D.,
Rasul Golam,
Prakash G. K. Surya
Publication year - 1997
Publication title -
angewandte chemie international edition in english
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 5.831
H-Index - 550
eISSN - 1521-3773
pISSN - 0570-0833
DOI - 10.1002/anie.199718751
Subject(s) - protonation , chemistry , ab initio , nuclear magnetic resonance spectroscopy , computational chemistry , fluorine 19 nmr , ab initio quantum chemistry methods , carbon 13 nmr , ion , organic chemistry , molecule
Protolysis of tert ‐butyl fluoroformate [Eq.(a)] in a solution of FSO 3 H/SbF 5 ‐SO 2 ClF at −78°C yields the stable protonated form of the elusive fluoroformic acid [FC(OH) 2 ] + . It was characterized by 1 H, 13 C, and 19 F NMR spectroscopy. Evidence was also obtained for the formation of fluorocarbonyl cation [FCO] + , but not for diprotonated fluororformic acid [FC(OH 2 )OH 2 ] + .