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Hammett Correlations Of Carbonyl 13c Chemical Shifts In A Series Of N-(4-Substituted Phenyl)-6-Chloro-5-Fluoronicotinamides, Frank L. Setliff, John W. Hawley, Alan D. Toland
Hammett Correlations Of Carbonyl 13c Chemical Shifts In A Series Of N-(4-Substituted Phenyl)-6-Chloro-5-Fluoronicotinamides, Frank L. Setliff, John W. Hawley, Alan D. Toland
Journal of the Arkansas Academy of Science
A series of nine N-(4-substituted phenyl)-6-chloro-5- fluoronicotinamides exhibited excellent correlations of their carbonyl 13C shifts (5CO,ppm as measured in DMSO) with the standard Hammett substituent constants (c?R) of the substituent inthe 4-position. The linear relationship was defined by the equation 8CO ¦ 1.22
Scf-Mo Conformational Analysis Of Polycroconaine, T. E. Ezell, Jerry A. Darsey
Scf-Mo Conformational Analysis Of Polycroconaine, T. E. Ezell, Jerry A. Darsey
Journal of the Arkansas Academy of Science
Abinitio calculations at the STO-3G basis set level using GAUSSIAN 92 were conducted on the monomer unit of polycroconaine, a conducting polymer with conductive properties similar to several metals, in order to determine the most probable conformation of the monomer. We also compared the energy difference between the highest occupied and lowest unoccupied molecular orbitals. Successive calculations were performed at dihedral angle intervals of 30° around the central bond of the monomer. Minimum energy was observed at 0° bond rotation, consistent with a theory that the polymer owes many of its conductive properties to a planar configuration in combination with …