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. 2023 Jun 2;88(13):7940–7952. doi: 10.1021/acs.joc.2c02936

Table 2. Statistical Data on SESE = αF + βR Correlations (Equation 3) in Y–R–X Systems, Y = NO2, X = NO2, CN, Cl, H, OH, NH2a.

    Y = NO2
Y = O
R n α β r2 α/β α β r2 α/β
polyene 1 –7.39 –10.63 0.945 0.70 27.97 45.91 0.943 0.61
  2 –7.06 –5.03 0.971 1.40 22.12 37.16 0.954 0.60
  3 –5.11 –3.91 0.978 1.31 18.85 29.98 0.956 0.63
  4 –3.87 –3.36 0.975 1.15 16.28 25.26 0.958 0.64
  5 –3.15 –2.73 0.980 1.15 15.08 21.66 0.954 0.70
polyyne 1 –9.32 –4.89 0.942 1.91 36.79 49.00 0.951 0.75
  2 –6.92 –2.87 0.955 2.41 27.37 34.57 0.925 0.79
  3 –5.08 –2.62 0.959 1.94 21.99 26.59 0.919 0.83
  4 –3.96 –2.37 0.969 1.67 18.55 21.62 0.927 0.86
  5 –2.89 –1.87 0.853 1.55 15.87 17.83 0.911 0.89
acene 1 –4.42 –4.72 0.991 0.94 16.80 31.46 0.957 0.53
  2 –2.80 –3.47 0.996 0.81 12.03 23.24 0.965 0.52
  3 –1.90 –2.31 0.995 0.82 9.41 18.20 0.966 0.52
  4 –1.41 –1.72 0.995 0.82 7.78 14.75 0.966 0.53
a

α/β is the ratio between coefficients for field (α) and resonance (β) parameters.