Fig. 2: The scan map as the dihedral angle changes. | Nature Communications

Fig. 2: The scan map as the dihedral angle changes.

From: A molecular descriptor of intramolecular noncovalent interaction for regulating optoelectronic properties of organic semiconductors

Fig. 2

The evolution of a, b the atomic distances between S and O atom (circle), and between O and O atom (square), and the conversion between two conformations given as insets, c, d the potential energy E, the variation of orbital energy E(2) and electrostatic interaction energy Eelec as a function of the θ for M(S···O) and PhM(S···O).

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