Role of host-guest interactions in tuning the optical properties of coumarin derivatives incorporated in MCM-41: A TD-DFT investigation

Journal of Physical Chemistry C

Volumn 116, Issue 33, 2012, Pages 17807-17818

  Pedone, Alfonso ^a   Bloino, Julien ^b,c   Barone, Vincenzo ^c  

^a UNIVERSITY OF MODENA AND REGGIO EMILIA   (Italy)

^b CNR   (Italy)

^c SCUOLA NORMALE SUPERIORE   (Italy)

Author keywords

[No Author keywords available]

Indexed keywords

ABSORPTION AND EMISSION SPECTRA; CARBONYL GROUPS; COUMARIN DERIVATIVES; DENSITY FUNCTIONAL THEORIES (DFT); DYE MOLECULE; DYE-DOPED; ELECTRONIC SPECTRUM; ELECTRONIC TRANSITION; EXPERIMENTAL MEASUREMENTS; HOST GUEST INTERACTIONS; ORGANIC DYE MOLECULES; RED-SHIFTED; SILANOL GROUPS; SILICA SURFACE; SOLVATOCHROMIC; STOKES SHIFT; TIME-DEPENDENT DFT; VIBRATIONAL FINE STRUCTURE;

DENSITY FUNCTIONAL THEORY; ELECTRONIC PROPERTIES; EMISSION SPECTROSCOPY; MOLECULES; PHOTOEXCITATION; SILICA; TOLUENE;

OPTICAL PROPERTIES;

EID: 84868600879     PISSN: 19327447     EISSN: 19327455     Source Type: Journal    
DOI: 10.1021/jp305294u     Document Type: Article

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