Solvatochromism, molecular and electronic structures of trans and cis isomers of a typical styryl pyridinium cyanine dye

Journal of Molecular Structure

Volumn 920, Issue 1-3, 2009, Pages 332-341

  Abdel Halim, Shakir T ^a   Awad, Mohamed K ^a  

^a Tanta University   (Egypt)

Author keywords

Semiempirical molecular orbital calculations; Solvatochromism; Solvent effect; Styryl pyridinium cyanine dye

Indexed keywords

AMINES; ELECTRIC DIPOLE MOMENTS; ELECTRONIC PROPERTIES; ELECTRONIC STRUCTURE; ISOMERS; MOLECULAR MODELING; MOLECULAR ORBITALS; MOLECULES;

ABSORPTION BANDS; ASED-MO; ATOM SUPERPOSITION AND ELECTRON DELOCALIZATION MOLECULAR ORBITALS; BATHOCHROMIC SHIFTS; CHARGE REDISTRIBUTIONS; ELECTRONIC TRANSITIONS; EXPERIMENTAL DATUM; FLUORESCENCE BANDS; HYPSOCHROMIC SHIFTS; PM3 METHODS; POLARIZABILITY; SEMIEMPIRICAL MOLECULAR ORBITAL CALCULATIONS; SOLVATOCHROMISM; SOLVENT EFFECT; SOLVENT POLARITIES; STOKES SHIFTS; STYRYL PYRIDINIUM CYANINE DYE; TRANS AND CIS ISOMERS;

SOLVENTS;

EID: 59749085517     PISSN: 00222860     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.molstruc.2008.11.032     Document Type: Article

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