How the environment controls absorption and fluorescence spectra of PRODAN: a quantum-mechanical study in homogeneous and heterogeneous media
Article Abstract:
The spectroscopic behaviors of 6-propionyl-2-(N,N-dimethyl)aminonaphthalene (PRODAN) are examined in different environment, ranging from homogeneous solutions of different polarities to diffuse interfaces mimicking membranes. The integral equation formalism version of the polarizable continuum model (IEFPCM) is a versatile approach that has treated equilibrium and nonequilibrium solvation in both homogeneous and heterogeneous media.
Publication Name: Journal of Physical Chemistry B
Subject: Chemicals, plastics and rubber industries
ISSN: 1520-6106
Year: 2008
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Quantum mechanical polarizable continuum model approach to the Kerr effect of pure liquids
Article Abstract:
A quantum mechanical methodology, working within the framework of the polarizable continuum model (PCM), yielding quantities directly comparable with data extracted from Kerr experiments of liquids, is presented. The results show that the approach is able to properly describe most of the effects affecting the comparison between the gas-phase and liquid-phase observable values.
Publication Name: Journal of Physical Chemistry B
Subject: Chemicals, plastics and rubber industries
ISSN: 1520-6106
Year: 2005
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How solvent controls electronic energy transfer and light harvesting: toward a quantum-mechanical description of reaction field and screening effects
Article Abstract:
The implications of the dielectric effects on electronic energy transfer (EFT) couplings in photosynthetic antenna proteins are analyzed by using a quantum-mechanical model. The close packing between chromophores in natural antenna systems has led to reduced medium screening effects, enabling efficient energy migration and trapping.
Publication Name: Journal of Physical Chemistry B
Subject: Chemicals, plastics and rubber industries
ISSN: 1520-6106
Year: 2007
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