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Ring opening of 2-aza-3-borabicyclo[2.2.0]hex-5-ene, the Dewar form of 1,2-dihydro-1,2-azaborine: stepwise versus concerted mechanisms

The ring opening of the Dewar form of 1,2-dihydro-1,2-azaborine, 2-aza-3-borabicyclo[2.2.0]hex-5-ene (3) is investigated by theoretical methods by using multiconfiguration SCF (CASSCF) and coupled cluster theory [CCSD(T)] with basis sets up to polarised quadruple-zeta quality. The title compound was...

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Bibliographische Detailangaben
Hauptverfasser: Bettinger, Holger F, Hauler, Otto
Format: Artigo
Sprache:Inglês
Veröffentlicht: Beilstein-Institut 2013
Schlagworte:
Online Zugang:https://ncbi.nlm.nih.gov/pmc/articles/PMC3678608/
https://ncbi.nlm.nih.gov/pubmed/23766788
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.3762/bjoc.9.86
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