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. 2023 Oct 24;52(22):7848–7948. doi: 10.1039/d0cs00936a

Fig. 71. Examining theoretical dye structures. (A) Structure diagram for dye 17 and 28 from the work of Jacquemin.477 Light grey – hydrogen, dark grey – carbon, dark blue – nitrogen, green – chlorine, red – oxygen. Calculations on these structures were performed to obtain the magnitude and direction of Δdm and μm. (B) Signal amplitude schematic of a dimer with hopping time, τh (“beat time” between the two exciton states) & dephasing time τd. Jm,n of 98 meV (790 cm−1) gives ωh ∼ 47 THz222 (eqn (23)) or τh of 21 fs. A τd ∼ 54 fs is obtain from the reduction of homogeneous broadening of ΔEhomog ∼ 18 THz observed in a DNA template rotaxane SQ dimer.403 Assuming 5% of measurable original signal amplitude (i.e., e(−t/[3×τd])) gives 3τd or 162 fs (time to be able to perform measureable calculations) & n > 7 measurable gate operations. T = 295 K.

Fig. 71