Intermolecular π-to-π bonding between stacked aromatic dyads. Experimental and theoretical binding energies and near-IR optical transitions for phenalenyl radical/radical versus radical/cation dimerizations

Journal of the American Chemical Society

Volumn 126, Issue 42, 2004, Pages 13850-13858

  Small, David ^a   Zaitsev, Vladimir ^a   Jung, Yousung ^a   Rosokha, Sergiy V ^a   Head Gordon, Martin ^a   Kochi, Jay K ^a  

^a NONE

Author keywords

[No Author keywords available]

Indexed keywords

BINDING ENERGY; CHARGE TRANSFER; DIMERIZATION; ELECTROSTATICS; ENTHALPY; PARAMAGNETIC RESONANCE; X RAY CRYSTALLOGRAPHY;

CROSS-ASSOCIATION; IONIC SOLVATION; MOLECULAR-ORBITAL CALCULATIONS; PHENALENYL SYSTEMS;

AROMATIC COMPOUNDS;

BENZENE DERIVATIVE; CATION; DICHLOROMETHANE;

AB INITIO CALCULATION; ABSORPTION; ARTICLE; CALCULATION; CHEMICAL BINDING; CHEMICAL STRUCTURE; COVALENT BOND; CROSS REACTION; DIMERIZATION; DISPERSION; ELECTRICITY; ELECTRON; ELECTRON SPIN RESONANCE; ENERGY; ENTHALPY; EXPERIMENTAL MODEL; GAS; INFRARED SPECTROSCOPY; INTERMETHOD COMPARISON; MAGNETISM; MOLECULAR INTERACTION; PREDICTION; QUANTITATIVE ANALYSIS; RADICAL REACTION; SOLVATION; STATISTICAL SIGNIFICANCE; THEORETICAL STUDY; ULTRAVIOLET SPECTROSCOPY; X RAY CRYSTALLOGRAPHY;

EID: 6444231031     PISSN: 00027863     EISSN: None     Source Type: Journal    
DOI: 10.1021/ja046770i     Document Type: Article

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