UV Photoelectron Spectroscopic Study of Substituent Effects in Quinoline Derivatives

Igor Novak; Branka Kovac

doi:10.1021/jo040154n

UV Photoelectron Spectroscopic Study of Substituent Effects in Quinoline Derivatives

Igor Novak, Branka Kovac

Research output: Contribution to journal › Article › peer-review

16 Citations (Scopus)

Abstract

The molecular and electronic structure of eight substituted quinolines has been investigated byHeI/HeII photoelectron spectroscopy, Green's function calculations, and comparison with the spectraof related compounds. The correlation between nitrogen lone pair ionization energies and basicityin 18 substituted quinolines is discussed. The influence of different substituents has been quantifiedvia the scheme that is based on experimental energy shifts. The relationships between nitrogenionization energies, pKa values, and medicinal activity are also discussed.

Original language	English
Pages (from-to)	5005-5010
Number of pages	6
Journal	Journal of Organic Chemistry
Volume	69
Issue number	15
DOIs	https://doi.org/10.1021/jo040154n
Publication status	Published - 2004

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10.1021/jo040154n

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abstract = "The molecular and electronic structure of eight substituted quinolines has been investigated byHeI/HeII photoelectron spectroscopy, Green's function calculations, and comparison with the spectraof related compounds. The correlation between nitrogen lone pair ionization energies and basicityin 18 substituted quinolines is discussed. The influence of different substituents has been quantifiedvia the scheme that is based on experimental energy shifts. The relationships between nitrogenionization energies, pKa values, and medicinal activity are also discussed.",

keywords = "Antimalarials, Photoelectron spectroscopy",

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AU - Novak, Igor

AU - Kovac, Branka

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PY - 2004

Y1 - 2004

N2 - The molecular and electronic structure of eight substituted quinolines has been investigated byHeI/HeII photoelectron spectroscopy, Green's function calculations, and comparison with the spectraof related compounds. The correlation between nitrogen lone pair ionization energies and basicityin 18 substituted quinolines is discussed. The influence of different substituents has been quantifiedvia the scheme that is based on experimental energy shifts. The relationships between nitrogenionization energies, pKa values, and medicinal activity are also discussed.

AB - The molecular and electronic structure of eight substituted quinolines has been investigated byHeI/HeII photoelectron spectroscopy, Green's function calculations, and comparison with the spectraof related compounds. The correlation between nitrogen lone pair ionization energies and basicityin 18 substituted quinolines is discussed. The influence of different substituents has been quantifiedvia the scheme that is based on experimental energy shifts. The relationships between nitrogenionization energies, pKa values, and medicinal activity are also discussed.

KW - Antimalarials

KW - Photoelectron spectroscopy

U2 - 10.1021/jo040154n

DO - 10.1021/jo040154n

M3 - Article

VL - 69

SP - 5005

EP - 5010

JO - Journal of Organic Chemistry

JF - Journal of Organic Chemistry

SN - 0022-3263

IS - 15

ER -

UV Photoelectron Spectroscopic Study of Substituent Effects in Quinoline Derivatives

Abstract

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