Generation, Stereochemistry, and Molecular Dynamics of a 1,3‐Bis(phosphonio)propenide Cation | Zendy

Schmidbaur Hubert | Zendy; Paschalidis Christos | Zendy; Steigelmann Oliver | Zendy; Müller Gerhard | Zendy

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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.

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