PES Scan: Changing Spin State

16 Nov 2015 by

PES scan of 2,6-Pyridyne

This graphic is a Potential Energy Surface Scan for 2,6-Pyridyne. The X-axis of this graph is the C-C bond (Å), and the scan itself looked at the C-C Bond distance from 1.35 Å to 2.35 Å, in steps of 0.05 Å, moving from the bicyclic to the monocyclic form. This system is interesting in that its spin state changes over the course of the scan

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