Journal article
Ti=NR vs Ti-R ' Functional Group Selectivity in Titanium Imido Alkyl Cations from a DFT Perspective
- Abstract:
-
The reactions of Ti(NtBu)(Me3[9]aneN 3)Me+ (1) with a series of polar and nonpolar unsaturated organic substrates give different kinds of products, resulting either from cycloaddition to the Ti=N bond (PhCCH) or from insertion into the Ti-Me bond (PhCCPh, iPrNCNiPr, ethylene polymerization). DFT(B3PW91) calculations of the reaction pathways for cycloaddition and insertion on small model systems illustrate the basic electronic properties in terms of reaction site selectivity. In all cases the ...
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- Publication status:
- Published
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- Publisher copy:
- 10.1021/om8007103
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Bibliographic Details
- Journal:
- ORGANOMETALLICS
- Volume:
- 27
- Issue:
- 23
- Pages:
- 6111-6122
- Publication date:
- 2008-12-08
- DOI:
- EISSN:
-
1520-6041
- ISSN:
-
0276-7333
- Source identifiers:
-
51260
Item Description
- Language:
- English
- Pubs id:
-
pubs:51260
- UUID:
-
uuid:0d44604f-a32c-4572-9613-bb8f7637b953
- Local pid:
- pubs:51260
- Deposit date:
- 2012-12-19
Terms of use
- Copyright date:
- 2008
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