. Author manuscript; available in PMC: 2015 Jan 29.

Published in final edited form as: J Am Chem Soc. 2014 Jan 14;136(4):1545–1558. doi: 10.1021/ja411376u

Table 2.

Hyperfine parameters of 6b quoted for the S_t = 3 multiplet as described by eqs 1 and 3

Site

δ
[mm/s]

D
[cm⁻¹]

E/D

ΔE_Q
[mm/s]

\frac{A_{x}}{g_{n} β_{n}} [T]

\frac{A_{y}}{g_{n} β_{n}} [T]

\frac{A_{z}}{g_{n} β_{n}} [T]

1 (S_loc1 = 1)

−0.02(2)

2.3(3)^a

0.27(4)^a

−1.17(3)

−2.0

−2(2)

−7.2(2)

−8^b

2 (S_loc2 = 2)

0.14(2)

0.82(4)

−1.0(4)

−11(1)

−8.8(1)

> −20

determined from EPR. D is D_t and (E/D) = (E/D)_t

value is between -6 and -15 T