Effects of neutral and anionic substituents on the carbonyl stretching bands of ring-substituted acetophenones

1985 ◽  
Vol 63 (11) ◽  
pp. 3149-3154 ◽  
Author(s):  
Ivan G. Binev ◽  
Tsonko M. Kolev ◽  
Ivan N. Juchnovski
Keyword(s):  
Carbon Tetrachloride ◽  
Relative Accuracy ◽  
Dimethyl Sulphoxide ◽  
Single Parameter ◽  
Substituent Constants ◽  
Integrated Intensities ◽  
Infrared Frequencies

Satisfactory single-parameter (σ+) and dual-parameter (according to Yukawa–Tsuno and Taft) correlations have been found between frequencies of the title bands (νCO) and substituent constants. It has been found that use of dimethyl sulphoxide instead of carbon tetrachloride as solvent does not lower the relative accuracy of the studied correlations. The integrated intensities of the νCO bands do not correlate with any type of substituent constants. The constants σ+, σ0, σI, [Formula: see text], and [Formula: see text] of the anionic substituents NC—HC−, O−, CH3CON−, and CO2−, recently determined on the basis of cyano infrared frequencies and intensities, have proved satisfactorily reliable with respect to the νCO of acetophenones. The σ+ constants of m-CH2CO2− (−0.22 ± 0.08) and m-C6H5CON− (−0.66 ± 0.13) have been estimated on the basis of νCO data and νCO/σ+ correlations (solvent DMSO).

Infrared spectra of aqueous sodium benzoates and salicylates in the carboxyl-stretching region: chelation in aqueous sodium salicylates

1969 ◽  
Vol 47 (24) ◽  
pp. 4577-4588 ◽  
Author(s):  
G. E. Dunn ◽  
R. S. McDonald
Keyword(s):  
Salicylic Acid ◽  
Carbon Tetrachloride ◽  
Infrared Spectra ◽  
Aromatic Compounds ◽  
Deuterium Oxide ◽  
Substituent Effects ◽  
Good Evidence ◽  
Frequency Region ◽  
Aqueous Sodium ◽  
Substituent Constants

Infrared spectra in the frequency region 1300–1760 cm−1 are reported for 41 substituted sodium benzoates and 10 substituted sodium salicylates in deuterium oxide solution, and for 9 substituted salicylic acids in chloroform and carbon tetrachloride solutions. Carboxylate stretching frequencies of benzoates and salicylates correlate poorly with substituent constants, but the asymmetric frequencies of benzoates and salicylates correlate well with each other, and the asymmetric frequencies of benzoates correlate well with the asymmetric frequencies of the corresponding nitrobenzenes. It is suggested that, among substituted aromatic compounds, group vibrations which couple with the ring vibrations may correlate well with similar vibrations of other groups, but not with coupled vibrations of different symmetry, uncoupled vibrations, or substituent constants. Chelation in chloroform solutions of salicylic acid dimers can be detected by its influence on substituent effects, but infrared spectra provide no good evidence for chelation in aqueous sodium salicylates.

Dissolution of copper metal in a dimethyl sulphoxide–carbon tetrachloride mixture

1987 ◽  
pp. 1642-1643 ◽  
Author(s):  
Yasuyuki Tezuka ◽  
Masamitsu Miya ◽  
Akio Hashimoto ◽  
Kiyokazu Imai
Keyword(s):  
Carbon Tetrachloride ◽  
Dimethyl Sulphoxide ◽  
Copper Metal

Structural Effects on Nitrile Infrared Integrated Intensities of Alpha,Beta-Diaryl Cyanoethylenes: Hammett and Quantum Chemical Approaches

1978 ◽  
Vol 33 (5) ◽  
pp. 557-563 ◽  
Author(s):  
Ivan Juchnovski ◽  
Rositza Kuzmanova ◽  
Jordan Tsenov ◽  
José Kaneti ◽  
Ivan Binev
Keyword(s):  
Steric Hindrance ◽  
Quantum Chemical ◽  
Nitrile Group ◽  
Structural Effects ◽  
Mo Calculations ◽  
Infrared Intensities ◽  
Substituent Constants ◽  
Alpha Beta ◽  
Integrated Intensities ◽  
Derivatives Of

AbstractThe nitrile infrared intensities of a series of a,β-diaryl cyanoethylenes were juxtaposed to the associated substituent constants, HMO and SCF-MO indices and fair to excellent correlations were established. The competitive resonance of the nitrile group with alpha-and beta-aryl substituents is discussed. HMO calculations were used to estimate the steric hindrance to conjugation caused by polycyclic substituents and SCF-MO calculations were made to obtain uniform predictions of nitrile intensities and frequencies for hetero-cyclic derivatives of acrylonitrile.

Effects of Dimethyl Sulphoxide Against Liver Injury Caused by Carbon Tetrachloride in Rats

2004 ◽  
Vol 14 (3) ◽  
pp. 167-176 ◽  
Author(s):  
Chun Kwan Wong ◽  
Vincent Eng Choon Ooi ◽  
Chong Kim Wong
Keyword(s):  
Carbon Tetrachloride ◽  
Liver Injury ◽  
Dimethyl Sulphoxide

scholarly journals Effect of Substituents on Phenazine Derivatives by Spectral Studies

2015 ◽  
Vol 48 ◽  
pp. 114-122
Author(s):  
G. Thirunarayanan ◽  
I. Muthuvel ◽  
V. Sathiyendiran
Keyword(s):  
Regression Analysis ◽  
Statistical Analysis ◽  
Spectral Data ◽  
Chemical Shifts ◽  
Spectral Studies ◽  
Nmr Chemical Shifts ◽  
Effect Of Substituents ◽  
Substituent Constants ◽  
Infrared Frequencies ◽  
C Nmr

A series of eleven substituted dipyrido[3,2-a; 2′,3′-c]phenazine derivatives have been synthesized and examined their purities by literature method. The infrared and 13C NMR spectral data of prepared phenazines were correlated with Hammett substituent constants, F and R parameters using single and multi-regression analysis. From the results of statistical analysis, the effect of substituents on the infrared frequencies (ν, cm-1) and 13C nmr chemical shifts(δ, ppm) has been studied.

Potentiation of Carbon Tetrachloride Toxicity by Dimethyl Sulphoxide

Nature ◽  
1967 ◽  
Vol 214 (5089) ◽  
pp. 734-735 ◽  
Author(s):  
J. W. FRESTON ◽  
I. A. D. BOUCHIER
Keyword(s):  
Carbon Tetrachloride ◽  
Dimethyl Sulphoxide

The application of the Hammett equation to 13C N.M.R. spectroscopy: correlations in the β-nitrostyrenes

1976 ◽  
Vol 29 (12) ◽  
pp. 2607 ◽  
Author(s):  
DAR Happer
Keyword(s):  
Chemical Shift ◽  
Convenient Method ◽  
Experimental Error ◽  
Dimethyl Sulphoxide ◽  
Hammett Equation ◽  
Excellent Correlation ◽  
Substituent Constants ◽  
Hammett Σ Constants

A series of 33 β-nitrostyrenes has been prepared and their 13C N.M.R. spectra have been determined in dimethyl sulphoxide and in deuterochloroform (where soluble). Hammett correlations between substituent and the chemical shift of both the para ring carbons and the α-carbon of the ethenyl group have been shown to be only approximate. In contrast, an excellent correlation has been observed between the chemical shift of the β-carbon of the ethenyl group and Hammett σ+ constants in all cases except those involving para substituents capable of exerting a - R effect. Possible reasons for this are considered. The system appears to be the first reported one where 13C measurements for both meta- and para-substituted compounds give rise to correlations in which agreement lies well inside the limits of experimental error, and shows promise as a convenient method for calculating substituent constants and studying their variation with solvent.

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