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. 2024 Nov 4;14:26559. doi: 10.1038/s41598-024-78194-9

Table 7.

Regression fit to Kamlet-Abboud-Taft polarity scales for linear optical features of used samples with percentage contribution of various interactions. (a, b, and c: regression coefficients)

Multi-parameter scale ν0(103cm−1) a(103cm−1) b(103cm−1) c(103cm−1) R 2
Sample I
Absorbance 27.632 ± 0.149 0.685 ± 0.194 -0.640 ± 0.242 1.775 ± 0.250 0.88
Fluorescence 23.281 ± 0.623 0.071 ± 0.817 -3.777 ± 1.068 0.182 ± 1.013 0.77
Stokes Shift 23.281 ± 0.623 0.071 ± 0.817 -3.777 ± 1.068 0.182 ± 1.013 0.86
Sample II
Absorbance 27.614 ± 0.438 1.643 ± 0.546 -0.216 ± 0.737 2.031 ± 0.715 0.78
Fluorescence 26.989 ± 0.920 -2.362 ± 0.798 -3.296 ± 1.116 -4.444 ± 1.263 0.86
Stokes Shift 4.640 ± 0.324 2.097 ± 0.424 2.903 ± 0.576 1.906 ± 0.545 0.95
Sample III
Absorbance 29.341 ± 0.210 -0.920 ± 0.182 -0.584 ± 0.254 -0.985 ± 0.288 0.90
Fluorescence 23.533 ± 0.440 -2.534 ± 0.583 0.852 ± 0.780 -0.900 ± 0.738 0.76
Stokes Shift 5.037 ± 0.377 2.064 ± 0.526 -1.840 ± 0.821 1.364 ± 0.722 0.70
Sample IV
Absorbance 32.444 ± 0.474 -0.874 ± 0.373 -0.742 ± 0.588 -1.563 ± 0.580 0.75
Fluorescence 26.527 ± 0.813 -2.348 ± 0.705 -2.584 ± 0.986 -4.462 ± 1.115 0.87
Stokes Shift 5.156 ± 0.399 1.866 ± 0.346 2.290 ± 0.484 2.997 ± 0.548 0.94
Multi-parameter scale Pα(%) Pβ(%) Pπ*(%)
Sample I
Absorbance 22 21 57
Fluorescence 2 94 4
Stokes Shift 30 4 66
Sample II
Absorbance 42 6 52
Fluorescence 23 33 44
Stokes Shift 30 42 28
Sample III
Absorbance 37 23 40
Fluorescence 59 20 21
Stokes Shift 39 35 26
Sample IV
Absorbance 28 23 49
Fluorescence 25 28 47
Stokes Shift 26 32 42