Theoretical investigation of the mechanism and dynamics of intramolecular coherent resonance energy transfer in soft molecules: A case study of dithia-anthracenophane

Journal of the American Chemical Society

Volumn 132, Issue 47, 2010, Pages 16911-16921

  Yang, Lei ^a   Caprasecca, Stefano ^b   Mennucci, Benedetta ^b   Jang, Seogjoo ^a  

^a CITY UNIVERSITY OF NEW YORK   (United States)

^b UNIVERSITY OF PISA   (Italy)

Author keywords

[No Author keywords available]

Indexed keywords

COHERENT POPULATION TRANSFER; COHERENT RESONANCES; COMPUTATIONAL STUDIES; CONFIGURATION INTERACTION SINGLES; ELECTRONIC COUPLING; ELECTRONIC EXCITATION ENERGY; ENERGY DONORS; EXPERIMENTAL EVIDENCE; GROUND-STATE STRUCTURES; INDUCED POLARIZATION; INELASTIC EFFECTS; INTERPRETATION OF EXPERIMENTS; LEVEL SPACING; OPTIMIZED STRUCTURES; POLARIZABLE CONTINUUM MODEL; QUANTUM CHEMICAL; QUANTUM COHERENCE; SCREENING EFFECT; SOLVATION EFFECT; THEORETICAL INVESTIGATIONS; TIME DEPENDENT DENSITY FUNCTIONAL THEORY; TIME-SCALES; TORSIONAL ANGLE; TORSIONAL MOTION; TRANSITION DENSITY; VIBRATIONAL MODES;

CONTINUUM MECHANICS; DENSITY FUNCTIONAL THEORY; DIFFERENTIAL THERMAL ANALYSIS; ENERGY TRANSFER; EXCITATION ENERGY; GROUND STATE; QUANTUM CHEMISTRY; QUANTUM THEORY; RESONANCE; SULFUR COMPOUNDS;

EXCITED STATES;

ANTHRACENE DERIVATIVE; DIMETHYLANTHRACENE; DITHIAANTHRACENOPHANE; SOLVENT; UNCLASSIFIED DRUG;

ARTICLE; CHEMICAL STRUCTURE; COHERENT RESONANCE ENERGY TRANSFER; CONFIGURATION INTERACTION SINGLE; CONTROLLED STUDY; CROSS COUPLING REACTION; DENSITY FUNCTIONAL THEORY; DONOR; ELASTICITY; ELECTRONIC COUPLING CONSTANT; ENERGY TRANSFER; EXCITATION; MECHANICAL TORSION; MODULATION; MOLECULAR DYNAMICS; OSCILLATORY POTENTIAL; PHASE TRANSITION; POLARIZATION; POPULATION DYNAMICS; QUANTUM CHEMISTRY; QUANTUM MECHANICS; SOLVATION; TRANSITION ENERGY CUBE; VIBRATION;

ANTHRACENES; ELASTICITY; ELECTRONS; ENERGY TRANSFER; MODELS, MOLECULAR; MOLECULAR CONFORMATION; QUANTUM THEORY; SOLVENTS; THERMODYNAMICS;

EID: 78649495391     PISSN: 00027863     EISSN: 15205126     Source Type: Journal    
DOI: 10.1021/ja103303u     Document Type: Article

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