Intramolecular electronic communication in a dimethylaminoazobenzene- fullerene C60 dyad: An experimental and TD-DFT study

Journal of Computational Chemistry

Volumn 31, Issue 6, 2010, Pages 1182-1194

  Kumar, Senthil ^a   Patnaik, Archita ^a  

^a INDIAN INSTITUTE OF TECHNOLOGY MADRAS   (India)

Author keywords

Charge transfer; Dimethylaminoazobenzene fullerene (C 60); Donor acceptor conjugates; Electronic structure; TD DFT

Indexed keywords

AMINOAZOBENZENE; ANODIC SHIFT; ASYMMETRIC MOLECULES; AZOBENZENE MOIETY; CHARGE DISPLACEMENT; CHARGE TRANSFER BANDS; CHARGE TRANSFER INTERACTION; DFT CALCULATION; DFT STUDY; DIMETHYLANILINE; DONOR-ACCEPTOR CONJUGATES; ELECTRON ACCEPTOR; ELECTRON-DONATING; ELECTRONIC PERTURBATIONS; ELECTRONIC TRANSITION; ELECTRONIC TRANSITION ENERGIES; FULLERENE C; GAUSSIAN DECONVOLUTION; GROUND STATE ELECTRONIC STRUCTURE; HYPERCHROMIC EFFECT; INTENSITY BORROWING; INTRAMOLECULAR ELECTRONIC COMMUNICATION; MODEL COMPOUND; MOLECULAR FRAMEWORKS; REDUCTION POTENTIAL; SOLVENT POLARITY; UV-VIS SPECTRA;

AZO DYES; CARCINOGENS; CHARGE TRANSFER; DICHLOROMETHANE; ELECTRONIC PROPERTIES; ELECTRONIC STRUCTURE; EXCITATION ENERGY; FULLERENES; ION EXCHANGE; MASS TRANSFER; SOLVENTS; SULFUR COMPOUNDS; TOLUENE;

ORBITAL TRANSFER;

EID: 77950566368     PISSN: 01928651     EISSN: 1096987X     Source Type: Journal    
DOI: 10.1002/jcc.21404     Document Type: Article

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