Events The 13th International Electronic Conference on Synthetic Organic Chemistry

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Published

This submission belongs to the session g. Computational Chemistry of the event The 13th International Electronic Conference on Synthetic Organic Chemistry

Published date

01 Nov, 2009

Citation

Volodymyr V. Shibanov, Volodymyr L. Mizyuk, DEPENDENCE OF SPECTRAL PARAMETERS IN 1H AND 13C NMR SPECTRA OF AROMATIC COMPOUNDS UPON SUBSTITUENT SPATIAL-STRUCTURAL PECULIARITIES II. Investigation of the dependence of δi H basic spectral parameters in NMR 1H spectra of C6H5X monosubstituted benzenes u, in Proceedings of The 13th International Electronic Conference on Synthetic Organic Chemistry, 1 November–30 November 2009, MDPI: Basel, Switzerland, doi: 10.3390/ecsoc-13-00251

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DEPENDENCE OF SPECTRAL PARAMETERS IN 1H AND 13C NMR SPECTRA OF AROMATIC COMPOUNDS UPON SUBSTITUENT SPATIAL-STRUCTURAL PECULIARITIES II. Investigation of the dependence of δi H basic spectral parameters in NMR 1H spectra of C6H5X monosubstituted benzenes u

Volodymyr V. Shibanov ¹

Volodymyr L. Mizyuk ¹

1. Ukrainian Academy of Printing, Lviv, Ukraine

Abstract

The dependences of differential spectral parameters (Δδi H) in spectra NMR 1H of monosubstituted benzenes C6H5X on substituent constants (σ) were investigated. The best correlation was founded for set of para-Brown's constants (σ+).

Keywords

NMR 1H spectra of monosubstituted benzenes

basic (δi H) and differential (Δδi H) spectral parameters

calculated average parameter of chemical shifts (CAP)

substituent constants (σ)

sets of constants (σ)

Δδi H-σ and ΔCAP-σ dependencies

correlation co

Interaction between anions and substituted molecular bowls

Pd−Catalyzed Domino Alkyne Dimerization/Double [2+2] Allenyne Cycloaddition