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Electron Density and Bonding at Inverted Carbon Atoms: An Experimental Study of a [1.1.1]Propellane Derivative
Author(s) -
Messerschmidt Marc,
Scheins Stephan,
Grubert Lutz,
Pätzel Michael,
Szeimies Günter,
Paulmann Carsten,
Luger Peter
Publication year - 2005
Publication title -
angewandte chemie international edition
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 5.831
H-Index - 550
eISSN - 1521-3773
pISSN - 1433-7851
DOI - 10.1002/anie.200500169
Subject(s) - propellane , covalent bond , electron density , derivative (finance) , chemistry , critical point (mathematics) , electron , single bond , electron diffraction , molecular physics , crystallography , computational chemistry , diffraction , topology (electrical circuits) , physics , stereochemistry , alkyl , quantum mechanics , bicyclic molecule , organic chemistry , geometry , mathematics , financial economics , economics , combinatorics
Synchrotron radiation was required for high‐resolution diffraction experiments to determine the electron density and analyze the topology of a new [1.1.1]propellane derivative. A bond path with a bond critical point of significant electron density was found between the “inverted” bridgehead atoms C4⋅⋅⋅C4a (see picture), which is characteristic for a covalent bond; however, no charge accumulation at the bond critical point was seen.