Fig. 1: Structure and photophysical properties of p-CN-Au3 and m-CN-Au3. | Nature Communications

Fig. 1: Structure and photophysical properties of p-CN-Au3 and m-CN-Au3.

From: Solvent-mediated chirality inversion in orthogonal hierarchical assembly of achiral carbene-anchored gold cluster

Fig. 1

Chemical structures of a p-CN-Au3 and b m-CN-Au3. c UV–Vis absorption and d PL spectra of p-CN-Au3 in DMF/H2O solution under different fw. fw indicates the volume fraction of water in the solvent mixture (excitation wavelength: 365 nm). e, f, g Enantiomer molecular conformation, dimeric stacking patterns and packing structures in p-CN-Au3 crystals. h PL spectra and i time-resolved luminescence decay curves of p-CN-Au3 and m-CN-Au3 crystals detected at different wavelength, and the inserted images in (h) are the optical images of crystals under UV excitation (excitation wavelength: 365 nm, scale bar: 300 μm). j HOMO and LUMO orbitals at PBE0/def2-SVP level of p-CN-Au3. Transition from HOMO to LUMO + 1 orbitals contribute 90.8 % of the S0 → S2 process, of which the oscillator strength (f) is 0.0708.

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