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Generation, Stereochemistry, and Molecular Dynamics of a 1,3‐Bis(phosphonio)propenide Cation
Author(s) -
Schmidbaur Hubert,
Paschalidis Christos,
Steigelmann Oliver,
Müller Gerhard
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.198917001
Subject(s) - dication , chemistry , ion , molecular dynamics , fragment (logic) , stereochemistry , crystallography , computational chemistry , organic chemistry , computer science , programming language
A useful model for the free allyl anion is the methyldiphosphoniopropenide 3 , which is readily prepared from the diphosphinoethene 1 via the dication 2 . According to NMR and X‐ray structural analyses, 3 has the E/Z configuration. Temperature‐dependent NMR studies indicate a rotational barrier of 20.5 kcal mol −1 for the allyl anion fragment.