2-Aryl substituted 3-oxophenalenoxyl radicals: π-Spin structures and properties evaluated by dimer structure

Polyhedron

Volumn 24, Issue 16-17, 2005, Pages 2194-2199

  Morita, Yasushi ^a,e   Nishida, Shinsuke ^a   Fukui, Kozo ^e   Hatanaka, Kunio ^b   Ohba, Tomohiro ^a   Sato, Kazunobu ^c   Shiomi, Daisuke ^c   Takui, Takeji ^c   Yamamoto, Gaku ^d   Nakasuji, Kazuhiro ^a  

^a OSAKA UNIVERSITY   (Japan)

^b GRADUATE UNIVERSITY FOR ADVANCED STUDIES   (Japan)

^c Osaka Prefecture University   (Japan)

^d KITASATO UNIVERSITY   (Japan)

^e JAPAN SCIENCE AND TECHNOLOGY AGENCY   (Japan)

Author keywords

Density functional theory calculation; Electronic spin structure; Neutral radical; Oxophenalenoxyl; Variable temperature NMR; X ray crystal structure analysis

Indexed keywords

CHEMICAL BONDS; CRYSTAL STRUCTURE; DENSITY FUNCTIONAL THEORY;

DENSITY-FUNCTIONAL THEORY CALCULATIONS; ELECTRONIC SPIN STRUCTURE; ELECTRONIC SPINS; NEUTRAL RADICAL; OXOPHENALENOXYL; SPIN DELOCALIZATIONS; SPIN PROPERTIES; SPIN STRUCTURES; VARIABLE-TEMPERATURE NMR; X-RAY CRYSTAL STRUCTURE ANALYSIS;

ELECTRONIC STRUCTURE;

EID: 27644465898     PISSN: 02775387     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.poly.2005.03.042     Document Type: Conference Paper

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