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Differences Between Gas‐Phase and Solid‐State Molecular Structures of the Simplest Phosphonium Ylide, Me 3 P=CH 2
Author(s) -
Mitzel Norbert W.,
Brown Daniel H.,
Parsons Simon,
Brain Paul T.,
Pulham Colin R.,
Rankin David W. H.
Publication year - 1998
Publication title -
angewandte chemie international edition
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 5.831
H-Index - 550
eISSN - 1521-3773
pISSN - 1433-7851
DOI - 10.1002/(sici)1521-3773(19980703)37:12<1670::aid-anie1670>3.0.co;2-s
Subject(s) - phosphonium , ylide , gas phase , chemistry , electron diffraction , phase (matter) , crystallography , phase transition , crystal (programming language) , diffraction , physics , stereochemistry , thermodynamics , organic chemistry , quantum mechanics , computer science , programming language
Clearly different from local C 3 symmetric is the heavy‐atom core of Me 3 P=CH 2 , the simplest phosphonium ylide. The geometry obtained by reanalysis of gas‐electron‐diffraction data from 1977 is now consistent with theoretical calculations, but different from the molecular structure in the solid state. The picture shows the structure of Me 3 P=CH 2 in the gas phase (a) and in the crystal (c) together with the calculated transition state (b) (viewed along the P=C bond).