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Tetrakis(dimethylamino)ethylene Dication: Two CC Singly Bonded and Almost Perpendicularly Twisted ((H 3 C) 2 N) 2 C ⊕ Carbenium Ions
Author(s) -
Bock Hans,
Ruppert Klaus,
Merzweiler Kurt,
Fenske Dieter,
Goesmann Helmut
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.198916841
Subject(s) - dication , delocalized electron , mndo , molecule , ion , crystallography , ethylene , chemistry , perpendicular , alkyl , geometry , biochemistry , mathematics , organic chemistry , catalysis
Coulomb repulsion between the delocalized positive charges in the two halves of the molecule 1 2⊕ results in a lengthening of the central CC bond compared to that in 1 (152 vs. 136 pm), twisting of the two CN 2 planes by up to 76° (for the dichloride), and a charging of the “alkyl shells.” Results of MNDO calculations and X‐ray structure analyses are in good agreement with each other. XCl, Br.