Review of 'Indandiazocines: Unidirectional molecular switches'

We would like to thank G. Granucci for the review of our article. We largely agree with his remarks. Nevertheless, we provide brief answers to his issues 1-3 here, for further illustration: 1) We agree that the quantum decoherence correction developed by Granucci et al. is more important in situations where the gradients of the S1 and S0 potential energy hypersurfaces differ strongly (which causes the corresponding parts of the nuclear wavepacket to propagate away from each other, reducing their coupling), and that this is _presumably_ not the case at such short times after the system has left the Franck-Condon region. However, the original intention of the present study was to provide initial and qualitative support to our experimental partners, rather than to establish a quantitative and global view of the dynamics and of the S0/S1 surfaces. As noted in our answer to issue 3, PES scans are less straightforward for these systems than for the parent compound AB. Therefore, at this point in our investigation of these systems, we do not yet have sufficient information on S0/S1 surface features in all regions of interest. Nevertheless we tried to explain some features in our data, trying to indicate that these statements are speculative hypotheses. Of course we acknowledge that G.Granucci has more experience with quantum decoherence corrections to trajectory surface hopping and may hence judge its effects differently. 2) We are aware of this problem, but the intent of this article was the introduction of indandiazocines to the community and their general features and advantages compared to e.g. brAB, so qualitative trends between the lifetimes and quantum yields are more than sufficient. We agree with G.Granucci's estimate but would like to defer further discussion to the near future when experimental data for these properties hopefully become available. 3) One has to be careful in attempts to explain multidimensional dynamics via one-dimensional cuts, but ultimately we do agree also on this point. Nevertheless, we also want to point out the difficulty of such a scan of the CNNC coordinate: Since no free rotation around the NN double bond is possible (in constrast to azobenzene), for such bridged systems an automatic scan is challenging, because the dihedral angles of the ethylenic bridge have to be allowed to take on reasonable values at the same time. However, this should indeed be less problematic for the indandiazocines than for brAB. Therefore, we appreciate the suggestion and will make use of it in future work on these and similar systems.