Intermolecular covalent π-π bonding interaction indicated by bond distances, energy bands, and magnetism in biphenalenyl biradicaloid molecular crystal

Journal of the American Chemical Society

Volumn 129, Issue 6, 2007, Pages 1634-1643

  Huang, Jingsong ^a   Kertesz, Miklos ^a  

^a GEORGETOWN UNIVERSITY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

BAND STRUCTURE; CHEMICAL BONDS; MAGNETISM; MOLECULAR CRYSTALS; PROBABILITY DENSITY FUNCTION; SEMICONDUCTING ORGANIC COMPOUNDS;

DENSITY FUNCTIONAL THEORY (DFT); ENERGY BAND STRUCTURE; GEOMETRY OPTIMIZATIONS; SINGLY OCCUPIED MOLECULAR ORBITALS (SOMO);

ORGANIC COMPOUNDS;

ANION; CATION; NAPHTHALENE DERIVATIVE; PHENALENE DERIVATIVE; POLYACETYLENE; RADICAL;

ARTICLE; CHEMICAL STRUCTURE; CRYSTAL; CRYSTAL STRUCTURE; DENSITY FUNCTIONAL THEORY; ELECTRON SPIN RESONANCE; ENERGY; GEOMETRY; MAGNETISM; MOLECULAR INTERACTION; TEMPERATURE DEPENDENCE;

EID: 33846945073     PISSN: 00027863     EISSN: None     Source Type: Journal    
DOI: 10.1021/ja066426g     Document Type: Article

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