A heterobimetallic mechanism for c-h borylation elucidated from experimental and computational data

ACS Catalysis

Volumn 5, Issue 6, 2015, Pages 3689-3699

  Parmelee, Sean R ^a   Mazzacano, Thomas J ^a   Zhu, Yaqun ^b   Mankad, Neal P ^a   Keith, John A ^b  

^a UNIVERSITY OF ILLINOIS AT CHICAGO   (United States)

^b University of Pittsburgh   (United States)

Author keywords

bimetallic; borane; borylation; continuum solvation; dehydrogenation; density functional theory; oxidative addition; reductive elimination

Indexed keywords

COMPUTATION THEORY; DEHYDROGENATION; DENSITY FUNCTIONAL THEORY; ORGANOMETALLICS; QUANTUM CHEMISTRY; SPECTROSCOPIC ANALYSIS;

BIMETALLIC; BORANE; BORYLATION; CONTINUUM SOLVATIONS; OXIDATIVE ADDITIONS; REDUCTIVE ELIMINATION;

CATALYSTS;

EID: 84930661139     PISSN: 21555435     EISSN: None     Source Type: Journal    
DOI: 10.1021/acscatal.5b00275     Document Type: Article

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