Control of exchange interactions in π dimers of 6-oxophenalenoxyl neutral π radicals: Spin-density distributions and multicentered-two-electron bonding governed by topological symmetry and substitution at the 8-position

Chemistry - A European Journal

Volumn 19, Issue 36, 2013, Pages 11904-11915

  Nishida, Shinsuke ^a,b   Kawai, Junya ^a   Moriguchi, Miki ^a   Ohba, Tomohiro ^a   Haneda, Naoki ^a   Fukui, Kozo ^a   Fuyuhiro, Akira ^a   Shiomi, Daisuke ^c   Sato, Kazunobu ^c   Takui, Takeji ^c   Nakasuji, Kazuhiro ^a   Morita, Yasushi ^a,b  

^a OSAKA UNIVERSITY   (Japan)

^b JAPAN SCIENCE AND TECHNOLOGY AGENCY   (Japan)

^c Osaka Prefecture University   (Japan)

Author keywords

absorption; density functional calculations; magnetic properties; radicals; X ray diffraction

Indexed keywords

ANTIFERROMAGNETIC EXCHANGE INTERACTIONS; CHARGE-TRANSFER BANDS; RADICALS; SINGLY OCCUPIED MOLECULAR ORBITALS; SOLID STATE ELECTRONICS; SPIN DENSITY DISTRIBUTIONS; SPIN-DENSITY DISTRIBUTION; X-RAY CRYSTAL STRUCTURE ANALYSIS;

ABSORPTION; ANTIFERROMAGNETIC MATERIALS; CRYSTALLINE MATERIALS; DENSITY FUNCTIONAL THEORY; EXCHANGE INTERACTIONS; MAGNETIC PROPERTIES; MOLECULAR ORBITALS; TOPOLOGY; X RAY DIFFRACTION;

DIMERS;

EID: 84883211805     PISSN: 09476539     EISSN: 15213765     Source Type: Journal    
DOI: 10.1002/chem.201301783     Document Type: Article

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