o-Benzyne fragmentation and isomerization pathways: a CASPT2 study

descriptionPublicationkeyboard_double_arrow_right Article 01 Jan 2014 Italy English Publisher:Royal Society of Chemistry (RSC)Journal:Phys. Chem. Chem. Phys., volume 16, pages 23,944-23,951 (issn: 1463-9076, eissn: 1463-9084,

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Authors: GHIGO, Giovanni; MARANZANA, Andrea; TONACHINI, Glauco;

doi: 10.1039/c4cp02582b

pmid: 25283147

handle: 2318/155388

o-Benzyne fragmentation and isomerization pathways: a CASPT2 study

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Abstract

The mechanism for the thermal fragmentation of o-benzyne to C4H2 + C2H2 and C6H2.

Country

Italy

Related Organizations

University of Turin
Italy

Keywords

Benzyne; diacetylene; acetylene; hexatriyne; CASPT2

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