. Author manuscript; available in PMC: 2009 Sep 8.

Published in final edited form as: J Am Chem Soc. 2008 Jun 18;130(28):9048–9057. doi: 10.1021/ja800964g

Table 4.

H–F and F–F Coupling Constant Values (in Hz) at Two Extreme Temperatures for Compounds 2–4

	T(K)	J_H1′,F2′	J_H2′,F2′	J_F2′,H3′	J_H2′,F3′	J_H3′,F3′	J_F3′,H4′	J_F2′,H4′	J_F3′,H1′	J_F,H5(H5″)	J_F2′,H6	J_FF
2	283	19.90	49.58	14.9	11.73	49.80	26.00	0.95	2.22	0.80	2.00	9.35
	343	19.28	49.73	14.83	11.98	49.95	25.74	0.95	2.06	^a	2.29	^a
3	283	19.78	47.21	8.44	10.96	49.00	31.64	3.09		0.95		11.93
	343	19.85	47.18	9.13	11.83	48.92	31.31	3.11		1.28		^a
4	283	21.72	48.85	13.10	15.57	50.34	27.39	1.64				8.24
	343	21.28	48.88	13.62	15.74	50.43	26.97	1.62				^a

Not calculated due to broadened spectrum at 70 °C.