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Experimental Determination of the Electronic Polarizability of Quinoline and Isoquinoline in Solution by Three New Strategies

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Abstract

The values of electronic polarizability of quinoline and isoquinoline in extremely diluted liquid solution are reported in this paper. These were obtained by means of three new strategies based on UV-visible-NIR spectroscopy, the Kramers-Krönig relations, high precision densitometry and high exactitude refractometry, which are called here Arakawa’s Approximation (AA), Optical Substractive Approximation (OSA) and Optical Differential Approximation (ODA). In general the static electronic polarizability values of solute molecules obtained by ODA and OSA are in excellent agreement with the reported theoretical values at the Density Functional Theory (DFT) level and the Atom monopole-dipole model, but strong discrepancies were observed with the experimental values previously reported for quinoline and isoquinoline using refractometric and electro-optic methods. These differences were interpreted and analyzed in terms of dielectric intermolecular forces, resonant and pre-resonant effects. The AA method is shown to fail in predicting the polarizability of the quinoline and isoquinoline molecules.

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Authors and Affiliations

  1. Lab. de Electrónica Molecular, Departamento de Química, La Universidad del Zulia, Maracaibo, Bolivarian Republic of Venezuela

    Ysaías J. Alvarado, Néstor Cubillán, María G. Leal & Paola H. Labarca

  2. Lab. de Síntesis Orgánica y Diseño de Fármacos, Departamento de Química, La Universidad del Zulia, Maracaibo, Bolivarian Republic of Venezuela

    Elba Michelena

  3. Department of Pharmacy, Central University of “Las Villas”, Santa Clara, 54830, Cuba

    Yovani Marrero Ponce

Authors
  1. Ysaías J. Alvarado
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  2. Néstor Cubillán
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  3. María G. Leal
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  4. Paola H. Labarca
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  6. Yovani Marrero Ponce
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Correspondence to Ysaías J. Alvarado.

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Alvarado, Y.J., Cubillán, N., Leal, M.G. et al. Experimental Determination of the Electronic Polarizability of Quinoline and Isoquinoline in Solution by Three New Strategies. J Solution Chem 36, 1139–1155 (2007). https://doi.org/10.1007/s10953-007-9171-0

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  • DOI: https://doi.org/10.1007/s10953-007-9171-0

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