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Table 3 The electron density (ρBCP) and the associated value of Laplacian (▽2ρBCP), as well as the potential energy density (HBCP) at the bond critical point in cation-Tyr and anion-Tyr complexes.

Ion-Tyr H-bond ρBCP/(a.u.) ▽2ρBCP/(a.u.) HBCP/(10-3 a.u.) C4-3mim-Tyr C2-H…OCOO 0.011 0.039 1.437 C4-2mim-Tyr N3-H…OCOO 0.047 0.137 -5.634 C12-3mim-Tyr C2-H…OCOO 0.014 0.047 1.626 CAlkyl-H…OOH 0.007 0.021 0.491 C12-2mim-Tyr N3-H…OCOO 0.045 0.138 -4.675 BF4-Tyr NTyr-H…F1 N/A N/A N/A NTyr-H…F2 0.023 0.098 2.025 CAmino-H…F1 0.008 0.031 1.049