Fig. 6: The dynamic electronic structures of the TEMPO-indole complex.
a The SOMO of a representative conformation of the complex. b The covariance of spin density fluctuations at the various positions in the complex. The atoms are represented as the colored circles. The red and blue links indicate the negative and positive covariance respectively. c The SOMO of several states sampling distinct H-bond structures (length and angle) are shown. d The spin density trajectory of indole C2. e The autocorrelation function of the spin density dynamics at indole C2 position. f, g The unnormalized spectral density function of the spin density dynamics at indole C2 position. The dashed line in (g) indicates e-13C zero-quantum frequency at 9.4 T. Source data are provided as a Source Data file.
