Abstraction of the Hydrogen Atom of Methane by Iron−Oxo Species:  The Concerted Reaction Path Is Energetically More Favorable

1998 ◽  
Vol 17 (13) ◽  
pp. 2825-2831 ◽  
Author(s):  
Kazunari Yoshizawa ◽  
Yoshihito Shiota ◽  
Tokio Yamabe
Keyword(s):  
Hydrogen Atom ◽  
Reaction Path ◽  
Concerted Reaction

The ozone–acetylene reaction: concerted or non-concerted reaction mechanism? A quantum chemical investigation

2001 ◽  
Vol 347 (1-3) ◽  
pp. 268-276 ◽  
Author(s):  
Dieter Cremer ◽  
Elfi Kraka ◽  
Ramon Crehuet ◽  
Josep Anglada ◽  
Jürgen Gräfenstein
Keyword(s):  
Reaction Mechanism ◽  
Quantum Chemical ◽  
Chemical Investigation ◽  
Quantum Chemical Investigation ◽  
Concerted Reaction

Evidence of formation of H2CN by a concerted reaction

2009 ◽  
Vol 915 (1-3) ◽  
pp. 178-181
Author(s):  
Aristophanes Metropoulos
Keyword(s):  
Concerted Reaction

Intermediates in the Formation and Thermolysis of Peroxides from Oxidations with Singlet Oxygen

2014 ◽  
Vol 67 (3) ◽  
pp. 320 ◽  
Author(s):  
Werner Fudickar ◽  
Torsten Linker
Keyword(s):  
Singlet Oxygen ◽  
Theoretical Work ◽  
Ene Reaction ◽  
Experimental Findings ◽  
Zwitterionic Intermediate ◽  
Concerted Reaction

Herein we describe the recent mechanistic understandings of the singlet oxygen ene reaction to give hydroperoxides and the [4+2] cycloaddition affording endoperoxides. Both experimental findings and theoretical work conclude in the formation of intermediates structurally similar to perepoxides during the ene reaction. Such intermediates mainly control the regio- and stereoselectivities of this reaction class. For the [4+2] cycloaddition, both a synchronous concerted reaction (benzene, naphthalenes) and a stepwise reaction with a non-symmetric zwitterionic intermediate (larger acenes) have been found. The thermolysis of endoperoxides derived from acenes proceeds stepwise for anthracenes, but in a concerted manner for less stable adducts such as naphthalene.

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