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Structure of a “Y‐Conjugated” Dilithium Salt of an α,α′‐Keto Dianion: 1,3‐Dilithiodibenzyl Ketone‐(Me 2 NCH 2 CH 2 NMe 2 ) 2
Author(s) -
Dietrich Hans,
Mahdi Waruno,
Wilhelm Dieter,
Clark Timothy,
von Ragué Schleyer Paul
Publication year - 1984
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.198406211
Subject(s) - dilithium , mndo , ketone , chemistry , ab initio , monomer , salt (chemistry) , crystallography , ab initio quantum chemistry methods , computational chemistry , molecule , organic chemistry , polymer , ion , deprotonation
The first X‐ray structure analysis of a monomeric dilithium salt with an α,α′‐keto dianion was successfully carried out on the TMEDA complex 1 . With approximate C 2 symmetry, 1 is chiral. Comparison of the experimentally determined structure with that calculated semiempirically (MNDO) reveals good overall agreement. According to ab initio calculations, 2 has an analogous structure.