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Cyclobutane dication, (CH(2))(4)(2+): a model for a two-electron four-center (2e-4c) Woodward–Hoffmann frozen transition state

The structures of the elusive cyclobutane dication, (CH(2))(4)(2+), were investigated at the MP2/cc-pVTZ and CCSD(T)/cc-pVTZ levels. Calculations show that the two-electron four-center (2e-4c) bonded structure 1 involving four carbon atoms is a minimum. The structure contains formally two tetracoord...

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Detalles Bibliográficos
Autores principales: Prakash, G K Surya, Rasul, Golam
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Beilstein-Institut 2019
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6633612/
https://www.ncbi.nlm.nih.gov/pubmed/31354864
http://dx.doi.org/10.3762/bjoc.15.148