Ab initio study of the anomalous solvatochromic behavior of large betaines

Journal of Physical Chemistry A

Volumn 115, Issue 27, 2011, Pages 7994-8002

  Pinheiro, José Maximiano F ^a   De Melo, Celso P ^a  

^a FEDERAL UNIVERSITY OF PERNAMBUCO   (Brazil)

Author keywords

[No Author keywords available]

Indexed keywords

ELECTRIC DIPOLE MOMENTS; ELECTRONIC PROPERTIES; MOLECULES;

AB INITIO STUDY; BATHOCHROMIC SHIFT; CONFIGURATION INTERACTIONS; CONFORMATIONAL CHANGE; CONJUGATED BRIDGES; CONJUGATED CHAIN; DIFFERENT SIZES; FRONTIER ORBITALS; GASPHASE; HYPSOCHROMIC SHIFTS; NEIGHBORING MOLECULES; PHOTOCHEMICAL PROPERTIES; POLAR SOLVENTS; POSITIVE SOLVATOCHROMISM; PUSH-PULL MOLECULES; REICHARDT'S DYE; SELF-CONSISTENT REACTION FIELDS; SOLUTE-SOLVENT INTERACTION; SOLVATION PROCESS; SOLVATOCHROMIC BEHAVIOR; SOLVATOCHROMIC PROPERTIES; SOLVATOCHROMISMS; SPATIAL LOCALIZATION; SPECTROSCOPIC PROPERTY;

SOLVENTS;

EID: 84962464649     PISSN: 10895639     EISSN: 15205215     Source Type: Journal    
DOI: 10.1021/jp112417m     Document Type: Article

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