Understanding anionic Chugaev elimination in pericyclic tetracene formation
The reaction pathway for the formation of tetracenes from the diols 1,2-C6H4(CHOHC≡CAr)2 , LiHDMS, CS2 and MeI has been modelled by computational methods at the CBS-QB3 level of theory. Comparison of PhCHOC(=S)YCCPh (Y = S- or SMe) indicates a slight kinetic advantage for the anionic system towards...
| Main Authors: | , , |
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| Format: | Article |
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Elsevier
2016
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| Online Access: | https://eprints.nottingham.ac.uk/31578/ |