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Table 2 The distances and angles of H-bond in the cation-Tyr and anion-Tyr complexes, as well as the related intermolecular interaction energy.

Complex H-bond Distance/nm Angle/(°) ΔEIon-Tyr/(kJ·mol-1) C4-3mim-Tyr C2-H…OCOO 0.233 155.0 -44.96 C4-2mim-Tyr N3-H…OCOO 0.168 174.7 -57.31 C12-3mim-Tyr C2-H…OCOO 0.226 151.3 -64.23 CAlkyl-H…OOH 0.270 132.7 N/A C12-2mim-Tyr N3-H…OCOO 0.169 168.9 -61.14 BF4-Tyr NTyr-H…F1 0.252 106.9 -31.75 NTyr-H…F2 0.190 161.8 N/A CAmino-H…F1 0.249 124.6 N/A