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Homodiboriranides: The Simplest Negatively Charged Homoaromatic Compounds
Author(s) -
Wiliershausen Peter,
Kybart Claudia,
Stamatis Nicolaos,
Massa Werner,
Bühl Michael,
von Ragué Schleyer Paul,
Berndt Armin
Publication year - 1992
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.199212381
Subject(s) - ring (chemistry) , chemistry , ab initio , atom (system on chip) , folding (dsp implementation) , crystallography , value (mathematics) , computational chemistry , stereochemistry , mathematics , organic chemistry , computer science , statistics , electrical engineering , embedded system , engineering
Deshielding of the tricoordinated C atom , a ring inversion barrier of approximately 8 kcal mol −1 (Olah et al. determined a value of 8.4 kcal mol −1 for the parent compound of 1 ), a shorter BB distance, and folding as in 1 and 2 (substituents here not defined) prove that 3 is homoaromatic. Very similar data were obtained for the parent compound C 2 B 2 H 5 −by ab initio calculations. Dur = 2,3,5,6‐Me 4 C 6 H.