| Literature DB >> 24073889 |
Justin M Lopchuk1, Russell P Hughes, Gordon W Gribble.
Abstract
The distinct experimentally observed regiochemistries of the reactions between mesoionic münchnones and β-nitrostyrenes or phenylacetylene are shown by DFT/BDA/ETS-NOCV analyses of the transition states to be dominated by steric and reactant reorganization factors, rather than the orbital overlap considerations predicted by Frontier Molecular Orbital (FMO) Theory.Entities:
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Year: 2013 PMID： 24073889 DOI： 10.1021/ol402385v
Source DB: PubMed Journal: Org Lett ISSN： 1523-7052 Impact factor: 6.005