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. Author manuscript; available in PMC: 2022 Mar 21.
Published in final edited form as: Phys Chem Chem Phys. 2021 Mar 12;23(11):6433–6437. doi: 10.1039/d0cp06710e

Table 1.

Spectroscopic properties and physical constants of the 4X-indoles.

X λabmax (nm) λemmax (nm) QY δmeta δpara F R ω (eV)
CN 304 387 0.85 0.56 0.66 0.51 0.15 1.74
NO2 375 524 0.0012 0.71 0.78 0.65 0.13 2.61
CHO 340 460 0.22 0.35 0.42 0.33 0.13 1.83
O-TFA 330 358 <0.0001 0.56 0.46 0.58 −0.12 -
CO2Me 312 418 0.52 0.37 0.45 0.34 0.11 1.51
CO2H 312 414 0.49 0.37 0.45 0.34 0.11 1.61
NC 299 367 0.085 0.48 0.49 0.47 0.02 1.48
N3 295 330 0.0058 0.37 0.08 0.48 −0.40 1.3
N-TFA 292 313 0.0021 0.30 0.12 0.38 −0.26 -
N-Ac 288 382 0.0029 0.21 0.00 0.31 −0.31 -
H 278 354 0.14 - - - - -
NMe3+ 285 365 0.010 0.88 0.82 0.86 −0.04
Br 280 332 0.011 0.39 0.23 0.45 −0.22 0.89
NMe2 278 338 0.013 −0.15 −0.83 0.15 −0.98 0.27
Cl 278 327 0.0056 0.37 0.23 0.42 −0.19 0.91
NHMe 274 336 0.014 −0.21 −0.70 0.03 −0.73 -
NH2 272 333 0.0091 −0.16 −0.66 0.08 −0.74 0.3
O−Ac 270 307 0.0097 0.39 0.31 0.42 −0.11 1.01
Me 270 305 0.28 −0.07 −0.17 0.01 −0.18 0.6
OH 264 306 0.078 0.12 −0.37 0.33 −0.70 0.44
F 260 303 0.019 0.34 0.06 0.45 −0.39 0.68