Host-Guest Complexations of Amine Boranes and Isoelectronic/Isostructural Quaternary Alkylammonium Cations by Cucurbit[7]uril in Aqueous Solution

Table 1

Host-guest stability constants, molar volumes and packing coefficients, and the ¹H NMR exchange behaviour for the CB complexes with the H₃BNR₃ and H₃CN guests.

Amine in; H3BNR3	, M^−1; (R3NBH3)	Molar Volume, Å^3 (Packing Coefficient)	^1H NMR exchange behaviour; (R3NBH3)	, M^−1; (R3NC)	Molar Volume, Å^3 (Packing Coefficient)	^1H NMR exchange behaviour; (R3NC)
dimethylamine	1.6 x 10^5	99 (41%)	intermediate	3.5 x 10^4	78 (32%)	fast
trimethylamine	4.1 x 10^6; 5.6 x 10^6	116 (48%)	slow	1.2 x 10^5	95 (39%)	fast
triethylamine	3.3 x 10^6; 3.1 x 10^6	166 (69%)	slow	6.5 x 10^7	146 (60%)	fast
t-butylamine	4.3 x 10^5	129 (53%)	intermediate/fast	3.7 x 10^5	109 (45%)	fast
morpholine	1.4 x 10^5	131 (54%)	intermediate	2.3 x 10^6	110 (45%)	fast
N-methyl-morpholine	3.3 x 10^7; 3.8 x 10^7	148 (61%)	slow	5.1 x 10^6	127 (52%)	fast

Error limits of ±15 %. Calculated using Molinspiration software [39]. Calculated using NM as the competitor. Calculated using as the competitor. From [27]. From [40]. Calculated using TSP as the competitor.