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DFT Study of the Isomerization and Spectroscopic/Structural Properties of Ruthenacyclobutane Intermediates Relevant to Olefin Metathesis

✍ Scribed by Rowley, Christopher N.; van der Eide, Edwin F.; Piers, Warren E.; Woo, Tom K.


Book ID
127038906
Publisher
American Chemical Society
Year
2008
Tongue
English
Weight
182 KB
Volume
27
Category
Article
ISSN
0276-7333

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## Abstract The mechanism of the __trans__ to __cis__ isomerization in Ru complexes with a chelating alkylidene group has been investigated by using a combined theoretical and experimental approach. Static DFT calculations suggest that a concerted single‐step mechanism is slightly favored over a mu