Energy-minimized structures and MO levels of catalysts related to [RuO(hpsd)(bpy)]+ that competently hydroxylate benzene (hpsd(2-)=(2-hydroxyphenyl)salicyldiminato)

Inorganica Chimica Acta

Volumn 357, Issue 3, 2004, Pages 785-796

  Lujan, Scott ^a   Slocik, Joseph M ^a   Chatterjee, Debabrata ^b   Mitra, Anannya ^b   Shepherd, Rex E ^a  

^a UNIVERSITY OF PITTSBURGH   (United States)

^b CSIR CENTRAL MECHANICAL ENGINEERING RESEARCH INSTITUTE   (India)

Author keywords

[No Author keywords available]

Indexed keywords

ATOMS; BENZENE; CATALYST ACTIVITY; CHELATION; DIGITAL TO ANALOG CONVERSION; LIGANDS; MOLECULAR ORBITALS; MOLECULAR OXYGEN; ORBITAL CALCULATIONS;

BENZENE TO PHENOL; ENERGY MINIMIZED STRUCTURES; GENERAL FORMULAS; GENERAL STRUCTURES; MOLECULAR ORBITAL METHOD; OXYGENATED PRODUCTS; POSITIVE CHARGES; TRIDENTATE LIGANDS;

RUTHENIUM COMPOUNDS;

BENZENE DERIVATIVE; OXYGEN; RUTHENIUM COMPLEX;

ARTICLE; ATOM; CALCULATION; CATALYST; CHEMICAL BOND; COMPLEX FORMATION; CORRELATION ANALYSIS; ENERGY; HYDROXYLATION; MOLECULAR MECHANICS; OXYGEN TRANSPORT; OXYGENATION; STRUCTURE ANALYSIS;

EID: 1242351338     PISSN: 00201693     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.ica.2002.08.001     Document Type: Article

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