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Optica Publishing Group
  • Applied Spectroscopy
  • Vol. 47,
  • Issue 4,
  • pp. 411-422
  • (1993)

IR and NMR Correlations for 3-x and 4-x Substituted Anilines

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Abstract

Infrared (IR) and/or Nuclear Magnetic Resonance (NMR) carbon-13 data are presented for 3-<i>x</i> and 4-<i>x</i> substituted anilines. Correlations are presented for the δ<sup>13</sup>C-1 chemical shift vs. Hammett σ<i><sub>p</sub></i> and <i>σ<sub>m</sub></i> values, ν<sub>asym.</sub>NH<sub>2</sub> vs. δ<sup>13</sup>C-1, ν<sub>sym.</sub>NH<sub>2</sub> vs. δ<sup>13</sup>C-1, δ<sup>13</sup>C-1 vs. ν<sub>asym.</sub>NH<sub>2</sub>, δ<sup>13</sup>C-1 vs. the absorbance ratio A(ν<sub>asym.</sub>NH<sub>2</sub>/<i>A</i>(ν<sub>sym.</sub>NH<sub>2</sub>), and δ<sup>13</sup>C-1 vs. Taft σ<i><sub>R</sub></i>°. The IR data for these compounds are recorded in the vapor phase, and in hexane, carbon tetrachloride, and chloroform solutions. The NMR chemical shift data for these compounds in solution with chloroform were obtained with the use of tetramethylsilane as the δ<sup>13</sup>C resonance reference frequency.

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