Fig. 6: Comparison of the structural motions for the dissociation and roaming-mediated isomerization channels.
From: Filming ultrafast roaming-mediated isomerization of bismuth triiodide in solution
a Bi···Ic distance, b Bi-Ib-Ic angle, and c Ib···Ic distance for the BiI3 in the dissociation pathway (black) and the roaming-mediated isomerization pathway (red) are shown. The structural motions are obtained in the structural fit on ΔSiso(q, t). The error bars represent the one-standard-deviation error values estimated from the relevant error values obtained from the covariance matrix of the coefficients of quartic polynomials for the time delays earlier than 175 fs and the averaged one-standard-deviation error values obtained from the fits starting from ~5000 random structures for the time delays later than 175 fs.
