. Author manuscript; available in PMC: 2010 Apr 1.

Published in final edited form as: J Am Chem Soc. 2009 Apr 1;131(12):4335–4345. doi: 10.1021/ja8081846

Table 2.

Bond dissociation free energies (BDFEs) and enthalpies (BDEs) in MeCN.

AH	BDE_MeCN (kcal mol⁻¹)	BDFE_MeCN (kcal mol⁻¹)	Reference
^tBu₃PhOH	83 ± 1	77 ± 1	see text, ³⁴
TEMPOH	71.5 ± 0.5	66.5 ± 0.5	see text, ²³, ³⁵
Fe^II(H₂bip)	62.0 ± 1.7^a	66.0 ± 1.7^b	28, 30
Fe^II(H₂bim)	67 ± 2^a	72 ± 2^b	36
Ru^II(py-imH)	68 ± 1^a	62 ± 1^b	32
Ru^II(hfac)₂(py-imH)	--	79.6 ± 1^b	32
Co^II(H₂bim)	62 ± 1^a,^c	69.5 ± 0.9^c	see text

BDE_MeCN = ΔH^o_{(AH + TEMPO)} - BDE[TEMPOH]_MeCN.

From eq 21 using pK_a and E^o values.

From K_eq and ΔH^o values in Table 1; these are in agreement with values calculated from eq 21 (using pK_a and E^o), which are less precise for Co^II(H₂bim) because of the large uncertainty in E^o.³⁰