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

1976 ◽  
Vol 29 (8) ◽  
pp. 1679 ◽  
Author(s):  
AJ Pearson

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.

1977 ◽  
Vol 30 (2) ◽  
pp. 407 ◽  
Author(s):  
AJ Pearson

The changes in 13C shieldings of C 1 and C 3, produced by methoxyl and methoxycarbonyl substituents at C 2, reflect the distribution of π-bond orders in uncomplexed 1,3-dienes, and indicate a substantial reorganization of this distribution upon forming diene-Fe(CO)3 complexes.


1975 ◽  
Vol 53 (4) ◽  
pp. 596-603 ◽  
Author(s):  
Roderick E. Wasylishen ◽  
Thomas R. Clem ◽  
Edwin D. Becker

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.


1988 ◽  
Vol 6 (2) ◽  
pp. 183-191 ◽  
Author(s):  
Stephen F. Lincoln ◽  
Andrea M. Hounslow ◽  
John H. Coates ◽  
Rosa P. Villani ◽  
Robert L. Schiller

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