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. 2022 Mar 11;61(12):5157–5171. doi: 10.1021/acs.inorgchem.2c00501

Table 3. Parameters Obtained from the Simultaneous Analysis of ¹⁷O NMR and ¹H NMRD Data.

	CHXOCTAPA^4–	OCTAPA^4–^b	DTPA^5–^c	DOTA^4–^c
r_1p at 25/37 °C, 20 MHz/mM^–1 s^–1	5.6/4.5	5.0/3.9	4.7/4.0	4.7/3.8
k_ex²⁹⁸/10⁶ s^–1	1.58 ± 0.09	5.0	3.3	4.1
ΔH^⧧/kJ mol^–1	54.6 ± 1.8	40.1	51.6	49.8
τ_RH²⁹⁸/ps	75 ± 3	55^b	58^b	77
E_r/kJ mol^–1	19.5 ± 1.2	17.9	17.3	16.1
τ_v²⁹⁸/ps	11.3 ± 0.06	12.6	25	11
E_v/kJ mol^–1	1.0^a	1.0^a	1.6	1.0^a
Δ²/10²⁰ s^–2	1.04 ± 0.06	1.2	0.46	0.16
D_GdH²⁹⁸/10^–10 m² s^–1	20.0^a	19	20	22
E_DGdH/kJ mol^–1	22^a	30.1	19.4	20.2
A/ℏ/10⁶ rad s^–1	–3.06 ± 0.08	–2.31	–3.8	–3.7
χ(1 + η^2/3)^1/2/MHz	10.7^a	17^b	14^b	10
r_GdH/Å	3.005^a	2.969^a	3.1^a	3.1^a
r_GdO/Å	2.480^a	2.54^a	2.5^a	2.5^a
a_GdH/Å	3.5^a	3.4^a	3.5^a	3.5^a
q²⁹⁸	1^a	1^a	1^a	1^a

^a

Parameters fixed during the fitting procedure.

^b

Data from ref (26).

^c

Data from ref (90).