Theoretical studies on acetylene cyclotrimerization into benzene catalyzed by CpIr fragment

Journal of Organometallic Chemistry

Volumn 748, Issue , 2013, Pages 29-35

  Guo, Cai Hong ^a   Wu, Hai Shun ^a   Hapke, Marko ^b   Jiao, Haijun ^b  

^a SHANXI NORMAL UNIVERSITY   (China)

^b UNIVERSITY OF ROSTOCK   (Germany)

Author keywords

Alkyne cyclotrimerization; CpIr catalyst; Density functional theory; Diels Alder cycloaddition; Oxidative coupling

Indexed keywords

[2 + 2] CYCLOADDITION; [4 + 2] CYCLOADDITION; B3LYP DENSITY FUNCTIONAL; CYCLOTRIMERIZATION; DIELS-ALDER CYCLOADDITIONS; OXIDATIVE COUPLINGS; RATE DETERMINING STEP; RELATIVE STABILITIES;

ACETYLENE; BENZENE; CATALYSIS; CYCLOADDITION; DENSITY FUNCTIONAL THEORY; IRIDIUM; POTENTIAL ENERGY SURFACES; QUANTUM CHEMISTRY;

LIGHTING;

ALNUS;

EID: 84887104905     PISSN: 0022328X     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.jorganchem.2013.03.036     Document Type: Article

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