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The Structure of a C ‐Borylborirene with Strong CB Hyperconjugation
Author(s) -
Höfner Andrea,
Ziegler Bernd,
Massa Werner,
Berndt Armin
Publication year - 1989
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.198901861
Subject(s) - hyperconjugation , chemistry , ab initio , bond length , crystallography , molecular geometry , ab initio quantum chemistry methods , computational chemistry , stereochemistry , molecule , crystal structure , organic chemistry
The geometric consequences of CY hyperconjugation in an uncharged system YCX (shortening of the CX bond, lengthening of the CY bond, decrease in the YCX angle) were revealed by carrying out an X‐ray structure analysis of the C ‐borylborirene 1 . The structural parameters are in surprisingly good agreement with those obtained for orthogonal 2 by ab initio calculations (Dur = 2,3,5,6‐tetramethylphenyl).