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The First Unambiguous Characterization of a Neutral Phosphorus Ylide–Lithium Complex: Isolation, Structure, and Ab Initio Investigations of [(PhCH 2 ) 2 NLi · CH 2 PPh 3 ] 2
Author(s) -
Armstrong David R.,
Davidson Matthew G.,
Moncrieff David
Publication year - 1995
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.199504781
Subject(s) - ylide , alkali metal , phosphonium , ab initio , dimer , chemistry , lithium (medication) , ab initio quantum chemistry methods , phosphorus , metal , ring (chemistry) , inorganic chemistry , crystallography , computational chemistry , stereochemistry , molecule , organic chemistry , medicine , endocrinology
A four‐membered ring of two lithium and two nitrogen atoms is in the central unit of the dimer in the title ( 1 ), a complex between an alkali metal and a neutral phosphorus ylide. Surprisingly, this is the first time that such a model complex for the generation of ylides from phosphonium salts and alkali metal bases has been characterized in the solid state. The structure in solution was also determined, and the complexation energies for this and other model complexes were estimated by ab initio calculations.