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. 2023 Nov 12;11(1):2305745. doi: 10.1002/advs.202305745

Table 1.

Photophysical and electrochemical parameters for Au(I) complexes.

λ abs [nm (ε, 103 m −1 cm−1)] a) λ em [nm] b) τ obs [µs] c) Φ  d) E ox (V vs SCE) e) E red (V vs SCE) f) k r TADF (105 s−1) g) k nr (105 s−1) h) ΔE S1−T1 (meV) i) k ISC (108 s−1) j) k rISC (108 s−1) k)
[Au(DippPZI)(ACD)] 462 (7.2) 533 0.32 0.84 1.05 −1.49 26 5.0 40 21 6.6
[Au(DippPZI)(Cz)] 475 (9.8) 553 0.32 0.87 0.84 −1.62 27 2.4 55 22 4.5
[Au(DippPZI)(DPA)] 549 (6.6) 663 0.30 0.26 0.50 −1.58 8.7 25 49 7.9 1.5
[Au(DippPZI)(DPAC)] 560 (9.4) 666 0.26 0.22 0.54 −1.54 8.5 30 64 25 2.6
[Au(DippPZI)(DMAC)] 590 (6.2) 705 0.16 0.10 0.39 −1.54 6.3 56 52 3.8 4.7
[Au(DippPZI)(PXZ)] 619 (5.6) 750 0.019 N.D. l) 0.25 −1.49 N.D. l) N.D. l) N.D. l) N.D. l) N.D. l)
a)

Absorption peak wavelengths recorded for 10 µm Au(I) complex in deaerated toluene at 298 K;

b)

Photoluminescence peak wavelengths recorded for Zeonex thin films doped with 5 wt % Au(I) complexes (quartz substrates) at 298 K;

c)

Weighted average photoluminescence lifetime determined through triexponential decay fits of the photoluminescence decay traces monitored at emission peak wavelengths of Zeonex thin films doped with 5 wt % Au(I) complexes (quartz substrates) after pulsed laser excitation under 377 nm (time resolution: 32 ps);

d)

Photoluminescence quantum yields of Zeonex thin films doped with 5 wt. % Au(I) complexes (quartz substrates) determined absolutely by integrating over a sphere at 298 K;

e)

Oxidation;

f)

reduction potentials determined by cyclic and differential pulse voltammetry for anhydrous THF containing 2.0 mm samples and 0.10 m TBAPF6. A Pt working and a Pt counter electrodes, and an Ag/AgNO3 pseudo reference electrode were employed. Scan rate = 0.10 V s−1 (cyclic voltammetry) and 0.004 V s−1 (differential pulse voltammetry);

g)

Radiative decay rate of TADF emission, k r TADF = Φ /τ obs;

h)

Nonradiative decay rate, k nr = (1 − Φ) /τ obs;

i)

Energy difference between the S1 and T1 states determined through Boltzmann fitting of variable‐temperature τ obs values (see Figures S10 and S11, Supporting Information);

j)

Rate constant for intersystem crossing computed from Equation S5 (Supporting Information);

k)

Rate constant for reverse intersystem crossing computed from Equation S4 (Supporting Information);

l)

Not determined due to weak emission.