Top Curr Chem (Z) (2018) 376:24
1 3
signals arising from the S 1–2 → S M transitions (with S 1 and S 2 being the first ππ*
states of Tyr and Phe, respectively, namely L b in Platt notation) are present for
non-interacting side chains, while they are accompanied by a large number of ESA
Fig. 10 a Optimized QM/MM GS geometries of the solvated CFYC tetrapeptide in the closed T-stacked
and (upon disulfide bond breakage) open unstacked conformations. b Excited-state manifolds of the two
CFYC conformations computed at the CAS(14,13)
δ //PT2/ANO-L(432-2) level, with local (single and
double) excitations in black, mixed double excitations in green, and bright or dark CT states in red or
light red, respectively. c Simulated two-color 2DUV–Vis spectra of both CFYC conformations, with
ESAs labels as defined in the scheme of panel b. Reproduced from data reported in Ref. [37]
88
Reprinted from the journal
1 3
signals arising from the S 1–2 → S M transitions (with S 1 and S 2 being the first ππ*
states of Tyr and Phe, respectively, namely L b in Platt notation) are present for
non-interacting side chains, while they are accompanied by a large number of ESA
Fig. 10 a Optimized QM/MM GS geometries of the solvated CFYC tetrapeptide in the closed T-stacked
and (upon disulfide bond breakage) open unstacked conformations. b Excited-state manifolds of the two
CFYC conformations computed at the CAS(14,13)
δ //PT2/ANO-L(432-2) level, with local (single and
double) excitations in black, mixed double excitations in green, and bright or dark CT states in red or
light red, respectively. c Simulated two-color 2DUV–Vis spectra of both CFYC conformations, with
ESAs labels as defined in the scheme of panel b. Reproduced from data reported in Ref. [37]
88
Reprinted from the journal