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A DFT study of the mechanism of polymerization of epsilon-caprolactone initiated by organolanthanide borohydride complexes.

Abstract:

The mechanisms of polymerization of epsilon-caprolactone (CL) initiated by either the rare-earth hydride [Cp2Eu(H)] or the borohydrides [Cp2Eu(BH4)] or [(N2NN')Eu(BH4)] were studied at the DFT level (Cp=eta5-C5H5; N2NN'=(2-C5H4N)CH2(CH2CH2NMe)2). For all compounds the reaction proceeds in two steps: a hydride transfer from the rare earth initiator to the carbonyl carbon of the lactone, followed by ring-opening of the monomer. In the last step a difference is observed between the hydride and b...

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Publication status:
Published

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Publisher copy:
10.1002/chem.200800377

Authors


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Institution:
University of Oxford
Division:
MPLS
Department:
Chemistry
Sub department:
Inorganic Chemistry
Role:
Author
Journal:
Chemistry (Weinheim an der Bergstrasse, Germany) More from this journal
Volume:
14
Issue:
18
Pages:
5507-5518
Publication date:
2008-01-01
DOI:
EISSN:
1521-3765
ISSN:
0947-6539
Language:
English
Keywords:
Pubs id:
pubs:51266
UUID:
uuid:0bc187f7-513a-44d0-9608-17a98f269f63
Local pid:
pubs:51266
Source identifiers:
51266
Deposit date:
2012-12-19

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