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. Author manuscript; available in PMC: 2013 May 14.
Published in final edited form as: Phys Chem Chem Phys. 2012 Jan 31;14(18):6192–6199. doi: 10.1039/c2cp23587k

Table 1.

Geometry changes for the monoclinic polymorph on excitation based on the LASER refinement of the 50 µs data. The accuracy of the excited state molecular distances was estimated by error propagation.

Contact Bond length / Å
GS ES
Fe1-O1 1.866(2) 1.92(2)
Fe1-O2 1.915(2) 1.83(3)
Fe1-N1 1.977(3) 2.03(6)
Fe1-N2 2.031(3) 2.13(3)
Fe1-N3 1.982(3) 2.02(3)
Fe1-N4 1.989(3) 2.04(3)
Shift / Å
Fe1-Fe1E 0.17(2)
N1-N1E 0.11(5)
N2-N2E 0.05(5)
N3-N3E 0.07(3)
N4-N4E 0.08(4)
O1-O1E 0.14(2)
O2-O2E 0.12(2)