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1 article(s) from Hošek, Jan

Computational study of productive and non-productive cycles in fluoroalkene metathesis

Markéta Rybáčková,
Jan Hošek,
Ondřej Šimůnek,
Viola Kolaříková and
Jaroslav Kvíčala

Beilstein J. Org. Chem. 2015, 11, 2150–2157, doi:10.3762/bjoc.11.232

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Scheme 1: Initiation, productive and non-productive cycles in alkene homometathesis.

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Figure 1: Initiation phase of the reaction of HG2 with ethene (1) and 1,1-difluoroethene (2).

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Figure 2: Initiation phase of the reaction of HG2 with ethene (1) and 1-fluoroethene (3).

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Figure 3: First part A of the catalytic cycle of homometathesis of 1,1-difluoroethene (2).

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Figure 4: Computed structures of complexes s2j and a2j.

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Figure 5: Second part B of the catalytic cycle of homometathesis of 1,1-difluoroethene (2).

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Figure 6: First part A of the catalytic cycle of homometathesis of 1-fluoroethene (3).

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Figure 7: Second part B of the catalytic cycle of homometathesis of 1-fluoroethene (3).

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Figure 8: Non-productive catalytic cycle of homometathesis of tetrafluoroethene (4).

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Figure 9: First part A of the catalytic cycle of homometathesis of chlorotrifluoroethene (5).

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Figure 10: Second part B of the catalytic cycle of homometathesis of chlorotrifluoroethene (5).

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Published 10 Nov 2015

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