Beilstein J. Org. Chem.2015,11, 2150–2157, doi:10.3762/bjoc.11.232
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Keywords: alkene metathesis; computation; DFT; fluoroalkene; mechanism; non-productivecycle; productive cycle; Introduction
Over the course of the last 20 years, alkene metathesis catalysed with homogeneous transitition metal-based precatalysts evolved into a valuable tool for organic synthetic chemists
catalytic cycle closing the ring into the ruthenacyclobutane PB, or it can react in the non-productivecycle forming symmetrical ruthenacyclobutane NB. Finishing the productive cycle, the ruthenacyclobutane PB releases ethene and starts the next catalytic cycle, while the non-productive complex NB can again
continued our study by the computation of the first step A of the catalytic cycle for 1,1-difluoroethene (2), which started with the coordination of the starting active catalytic form 2AC with 1,1-difluoroethene (2). The non-productivecycle started with the syn-coordination of 1,1-difluoroethene (2) to 1,1
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Graphical Abstract
Scheme 1:
Initiation, productive and non-productive cycles in alkene homometathesis.