TY - JOUR
T1 - The Structure of the Trimethylenemethane Dianion and the Question of Y‐Aromaticity
AU - Gobbi, Alberto
AU - MacDougall, Preston J.
AU - Frenking, Gernot
PY - 1991/8
Y1 - 1991/8
N2 - Neither delocalization nor “Y‐aromaticity” explains the stability of the trimethylenemethane dianion 1, but rather the optimal separation of the lone pairs on the terminal C atoms. This was shown by quantum‐chemical calculations, according to which the planar form of 1 (1a) corresponds to a higher‐order saddle point, whereas the lower‐energy structure 1 b displays strongly pyramidalized CH2 groups and only two of the three lone pairs are situated on the same side of the molecular plane. (Figure Presented.)
AB - Neither delocalization nor “Y‐aromaticity” explains the stability of the trimethylenemethane dianion 1, but rather the optimal separation of the lone pairs on the terminal C atoms. This was shown by quantum‐chemical calculations, according to which the planar form of 1 (1a) corresponds to a higher‐order saddle point, whereas the lower‐energy structure 1 b displays strongly pyramidalized CH2 groups and only two of the three lone pairs are situated on the same side of the molecular plane. (Figure Presented.)
UR - http://www.scopus.com/inward/record.url?scp=33748226102&partnerID=8YFLogxK
U2 - 10.1002/anie.199110011
DO - 10.1002/anie.199110011
M3 - 文章
AN - SCOPUS:33748226102
SN - 1433-7851
VL - 30
SP - 1001
EP - 1003
JO - Angewandte Chemie - International Edition
JF - Angewandte Chemie - International Edition
IS - 8
ER -