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Observed and Calculated Electron‐Density Distribution in the Bonds of a Rectangular Cyclobutadiene
Author(s) -
Irngartinger Hermann,
Hase HansLothar,
Schulte KarlWilhelm,
Schweig Armin
Publication year - 1977
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.197701871
Subject(s) - cyclobutadiene , bent molecular geometry , ring (chemistry) , electron density , derivative (finance) , computational chemistry , chemistry , maxima , molecular physics , electron , crystallography , atomic physics , physics , molecule , quantum mechanics , organic chemistry , art , performance art , financial economics , economics , art history
Bent CC bonds occur in the four‐membered ring of the cyclobutadiene derivative (1) , as shown by the difference electron densities determined experimentally and calculated by two procedures. The density maxima lie off the lines joining centers.