Premium
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.
Accelerating Research
Robert Robinson Avenue,
Oxford Science Park, Oxford
OX4 4GP, United Kingdom
Address
John Eccles HouseRobert Robinson Avenue,
Oxford Science Park, Oxford
OX4 4GP, United Kingdom