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. 2019 May 22;10(12):3205–3211. doi: 10.1021/acs.jpclett.9b00999

Table 1. Contributions of First and Second Derivatives to the Fitting of the EA Spectra of POZ-DBPHZ and t-BuCZ-DBPHZa.

  first-derivative contribution × 10–5 Δp × 10–38 (Dm/V) Δp × 10–38 (Dm/V)b second-derivative contribution × 10–5 Δμ (D) Δμ (D)b
POZ-DBPHZ 5.3 1.05 0.29 3.8 17.46 9.35
t-BuCZ-DBPHZ –2.7 –0.94 –0.27 0.3 6.25 3.35
a

Following eqs 3 and 4, the field-induced change in polarizability and dipole moment were calculated.

b

Corrected for a nonpolar environment using a local field correction factor of F = (2ε + 1)Fapp/3.