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Published on: June 24, 2013
Differences Between Gas-Phase and Solid-State Molecular Structures of the Simplest Phosphonium Ylide, Me3 P=CH2
Norbert W Mitzel1, Daniel H Brown2, Simon Parsons2
1Anorganisch-chemisches, Institut der Technischen Universität München, Lichtenbergstraße 4 85747 Garching (Germany), Fax: (+49) 89 28913125.
Abstract:
Clearly different from local C3 symmetric is the heavy-atom core of Me3 P=CH2 , 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 Me3 P=CH2 in the gas phase (a) and in the crystal (c) together with the calculated transition state (b) (viewed along the P=C bond).
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