Columnar packing motifs of functionalized perylene derivatives: Local molecular order despite long-range disorder

Journal of the American Chemical Society

Volumn 131, Issue 14, 2009, Pages 5251-5256

  Hansen, Michael Ryan ^a   Graf, Robert ^a   Sekharan, Sivakumar ^a   Sebastiani, Daniel ^a  

^a MAX PLANCK INSTITUTE FOR POLYMER RESEARCH   (Germany)

Author keywords

[No Author keywords available]

Indexed keywords

AB INITIO CALCULATIONS; AMBIENT TEMPERATURES; COLUMNAR STACKS; DIIMIDE; DIPOLAR COUPLINGS; DOUBLE-QUANTUM NMR; FIRST-PRINCIPLES CALCULATION; FUNCTIONALIZED; H-BONDING; INTERMOLECULAR DISTANCE; MOLECULAR DYNAMICS SIMULATIONS; MOLECULAR MOTIONS; MOLECULAR ORDERS; MOLECULAR WIRES; ORDER PARAMETER; PACKING EFFECTS; PACKING MOTIFS; PERYLENE; PERYLENE DERIVATIVES; PITCH ANGLE; SELF-ASSEMBLING; SELF-HEALING; SOLID-STATE NMR SPECTROSCOPY; SPECTROSCOPIC FINGERPRINTS; STERIC REPULSIONS; YIELD VALUE;

DERIVATIVES; ELECTRON TRANSITIONS; HYDROGEN; MOLECULAR DYNAMICS; NUCLEAR MAGNETIC RESONANCE; SOLID STATE PHYSICS;

NUCLEAR MAGNETIC RESONANCE SPECTROSCOPY;

HYDROGEN; IMIDE; PERYLENE;

ARTICLE; CALCULATION; CHEMICAL PARAMETERS; CHEMICAL STRUCTURE; ENVIRONMENTAL TEMPERATURE; HYDROGEN BOND; MOTION; NUCLEAR MAGNETIC RESONANCE SPECTROSCOPY; QUANTUM CHEMISTRY; SIMULATION; SOLID STATE;

EID: 67749111693     PISSN: 00027863     EISSN: None     Source Type: Journal    
DOI: 10.1021/ja8095703     Document Type: Article

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