Spectroscopic and electronic structure studies of the diamagnetic side-on CuII-superoxo complex Cu(O2)[HB(3-R-5-iPrpz)3]: Antiferromagnetic coupling versus covalent delocalization

Journal of the American Chemical Society

Volumn 125, Issue 2, 2003, Pages 466-474

  Chen, Peng ^a   Root, David E ^a   Campochiaro, Cecelia ^a   Fujisawa, Kiyoshi ^b   Solomon, Edward I ^a  

^a STANFORD UNIVERSITY   (United States)

^b UNIVERSITY OF TSUKUBA   (Japan)

Author keywords

[No Author keywords available]

Indexed keywords

SPIN POLARIZATION;

CHEMICAL BONDS; ELECTRONIC STRUCTURE; GROUND STATE; MAGNETISM; MOLECULAR VIBRATIONS; POLARIZATION; PROBABILITY DENSITY FUNCTION;

COPPER COMPOUNDS;

COPPER COMPLEX; FERROMAGNETIC MATERIAL;

ARTICLE; CALCULATION; COMPLEX FORMATION; COVALENT BOND; DENSITY; INTERMETHOD COMPARISON; MAGNETISM; POLARIZATION; SPECTROSCOPY; STRUCTURE ANALYSIS;

COPPER; MAGNETICS; MODELS, CHEMICAL; MODELS, MOLECULAR; ORGANOMETALLIC COMPOUNDS; SPECTROPHOTOMETRY, INFRARED; SUPEROXIDES;

EID: 0037438524     PISSN: 00027863     EISSN: None     Source Type: Journal    
DOI: 10.1021/ja020969i     Document Type: Article

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