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. Author manuscript; available in PMC: 2018 Nov 28.
Published in final edited form as: J Phys Chem A. 2016 Sep 14;120(38):7451–7464. doi: 10.1021/acs.jpca.6b07024

Table 1.

Photophysical Parameters for All Standards and Compounds Studied, in Dilute THF Solution

compound abs λmax (nm) log ε fluor λmax (nm) ϕf Stokes shift (nm) τ (ns) kf (ns−1) knr (ns−1)
ZnPc 666 5.48a 671 0.100b    5 3.38 0.030 0.266
Zn(tBu)4Pc 672 5.43c 676 0.081d    4 3.28 0.025 0.280
ZnF16Pc 672 5.24e 678 0.057    6 2.75 0.021 0.343
ZnF15(SR)Pc 679 5.32 685 0.061    6 2.64 0.023 0.356
ZnF14(SR)2Pc 686 693 0.046    7 2.73 0.017 0.349
ZnF13(SR)3Pc 692 5.08 701 0.037    9 2.52 0.015 0.382
ZnF12(SR)4Pc 698 5.44 707 0.042    9 2.53 0.017 0.379
ZnF11(SR)5Pc 704 5.36 713 0.033    9 2.27 0.015 0.426
ZnF10(SR)6Pc 708 5.29 718 0.034   10 2.20 0.015 0.439
ZnF9(SR)7Pc 716 5.46 724 0.030    8 2.15 0.014 0.451
ZnF8(SR)8Pc 720 5.47 729 0.025    9 2.08 0.012 0.469
ZnF7(SR)9Pc 727 743   16
ZnF6(SR)10Pc 731 748 0.006   17 1.67f 0.004 0.595
ZnF5(SR)11Pc 733 4.97 753 0.009   20 1.59 0.006 0.623
ZnF4(SR)12Pc 740 4.89 761 0.005   21 1.33 0.004 0.748
ZnF3(SR)13Pc 749 5.12 771 0.005   22 1.29 0.004 0.771
ZnF2(SR)14Pc 755 778 0.004   23 1.30f 0.003 0.766
ZnF(SR)15Pc 768 796   28
Zn(SR)16Pc 777 5.16 802 0.003   25 1.38 0.002 0.722
a

The extinction coefficient (log ε) of ZnPc in THF taken from ref 53.

b

Quantum yield of ZnPc in toluene calculated as the average of the values in refs 54 and 53.

c

The extinction coefficient (log ε) obtained for Zn(tBu)4Pc in THF matches ref 53 to within less than 0.2%.

d

Quantum yield of Zn(tBu)4Pc standard in toluene, taken directly from ref 53.

e

The extinction coefficient (log ε) obtained for ZnF16Pc in THF matches ref 16 to within less than 1.3%.

f

The decay required fitting with a second lifetime, close to the IRF width (<300 ps), as a minor component (<20%).