Substituent effects and chiral discrimination in the complexation of benzoic, 4-methylbenzoic and (RS)-2-phenylpropanoic acids and their conjugate bases by β-cyclodextrin and 6A-amino-6A-deoxy-β-cyclodextrin in aqueous solution: potentiometric titration and1H nuclear magnetic resonance spectroscopic study

1993 ◽  
Vol 89 (7) ◽  
pp. 1035-1040 ◽  
Author(s):  
Susan E. Brown ◽  
John H. Coates ◽  
Paul A. Duckworth ◽  
Stephen F. Lincoln ◽  
Christopher J. Easton ◽  
...  
Keyword(s):  
Aqueous Solution ◽  
Nuclear Magnetic Resonance ◽  
Magnetic Resonance ◽  
Spectroscopic Study ◽  
Potentiometric Titration ◽  
Substituent Effects ◽  
Chiral Discrimination ◽  
Conjugate Bases ◽  
Nuclear Magnetic

Carbon-13 nuclear magnetic resonance spectroscopic study of tricarbonyldieneiron complexes: methyl substituent effects

1976 ◽  
Vol 29 (8) ◽  
pp. 1679 ◽  
Author(s):  
AJ Pearson
Keyword(s):  
Nuclear Magnetic Resonance ◽  
Magnetic Resonance ◽  
Spectroscopic Study ◽  
Substituent Effects ◽  
Bond Orders ◽  
Methyl Substituent ◽  
Nuclear Magnetic

From a comparison of β-effects given by methyl substituents in tricarbonyldieneiron complexes with those of the corresponding uncomplexed 1,3-dienes, it is concluded that bonding to iron results in a change in p-bond orders of the ligand. This change is consistent with the structure (1) making an important contribution to bonding in these complexes.

Nuclear Magnetic Resonance Chemical Shifts of some Monosubstituted Isothiazoles

1975 ◽  
Vol 53 (4) ◽  
pp. 596-603 ◽  
Author(s):  
Roderick E. Wasylishen ◽  
Thomas R. Clem ◽  
Edwin D. Becker
Keyword(s):  
Nuclear Magnetic Resonance ◽  
Magnetic Resonance ◽  
Chemical Shifts ◽  
Substituent Effects ◽  
Charge Densities ◽  
Monosubstituted Benzenes ◽  
Proton Chemical Shifts ◽  
Nuclear Magnetic

Carbon-13 and proton chemical shifts have been measured for several monosubstituted isothiazoles. Substituent effects upon these chemical shifts are compared with those observed for monosubstituted benzenes, pyridines, and thiophenes. In general the observed substituent effects in the isothiazoles and thiophenes closely parallel one another. Correlations between the observed carbon-13 Chemical shifts and CNDO/2 calculated charge densities are examined.

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