. Author manuscript; available in PMC: 2010 Jun 10.

Published in final edited form as: J Am Chem Soc. 2009 Jun 10;131(22):7685–7698. doi: 10.1021/ja810080c

Table 3.

Excited state transition energies, spin-Hamiltonian and ground state parameters for Fe^IITH complexes. Values are in cm⁻¹.

Sample	Band 1	Band 2	10 Dq	Δ⁵E	d	g//	D	\|E\|	Δ	\|V\|	V/2Δ
TH-[ ]	8720	10 750	9735	2030	3.1	9.1	-	-	−200	60	0.15
TH-[L-tyr]	9390	10 950	10 170	1560	5.4	9	-	-	−250	130	0.26
TH[6MPH₄]	9250	~10 900	~10 100	1610	3.7	9.2	-	-	−500	220	0.22
					5.6	8.0	11.4	2.4	600	324	0.27
TH[L-tyr, 6MPH₄]	8960	-	-	> 4000	5.2	8.0	11.2	2.6	700	420	0.30