X-ray crystal of diprotonated tetra-(2-pyridyl)pyrazine (H₂TPPZ), aqua Fe³⁺-phen crystal and new lanthanide complexes of TPPZ and their biochemical studies

SCHEME S1

Complexes of mixed ligands

FIGURE S1 IR spectrum of TPPZ

FIGURE S2 IR spectrum of Fe complex (C1)

FIGURE S3 IR spectrum of Cr complex (C2)

FIGURE S4 IR spectrum of La complex (C3)

FIGURE S5 IR spectrum of Fe-Phen complex (C4)

FIGURE S6 IR spectrum of Ce complex (C6)

FIGURE S7 IR spectrum of Nd complex (C7)

FIGURE S8 IR spectrum of Fe-mix complex (C8)

FIGURE S9 IR spectrum of Fe-mix complex (C9)

FIGURE S10 IR spectrum of La-mix complex (C10)

FIGURE S11 IR spectrum of Nd-mix complex (C11)

FIGURE S12 ¹³C-NMR spectrum Cr³⁺ (C2)

FIGURE S13 ¹³C-NMR spectrum Nd³⁺ (C11)

FIGURE S14 Mass spectrum of [Fe (TPPZ)Cl₃].½H₂O (1)

FIGURE S15 Mass spectrum of [La (TPPZ)(NO₃)₂(H₂O)₂]NO₃.H₂O (3)

FIGURE S16 CV of Cr complex (C2) in DMF, 0.1 M [(n-Bu)₄N]PF₆, scan rate 50 m for 10⁻³ M

FIGURE S17 CV of Nd complex (C11) in DMF, 0.1 M [(n-Bu)₄N]PF₆, scan rate 50 m for 10⁻³ M

FIGURE S18 CV of Fe mix complex (C8) in DMF, 0.1 M [(n-Bu)₄N]PF₆, scan rate 50 m for 10⁻³ M

FIGURE S19 CV of Fe mix complex (C9) in DMF, 0.1 M [(n-Bu)₄N]PF₆, scan rate 50 m for 10⁻³ M

FIGURE S20 relative viability of cells (%) at different concentration for C1, C2, C3, C4, C6, C7, C10 and C11

FIGURE S21 Tetragonal form TPPZ II

FIGURE S22 Monoclinic form TPPZ I

FIGURE S23 (a) HOMO (b) LUMO using DFT method for C1

FIGURE S24 (a) HOMO (b) LUMO using DFT method for C2

FIGURE S25 (a) HOMO (b) LUMO using DFT method for C3

FIGURE S26 (a) HOMO (b) LUMO using DFT method for C10

FIGURE S27 (a) HOMO (b) LUMO using DFT method for cationic part of C8 and C9

TABLE S1 Selected bond lengths (Å) of Au^IVTPPZ crystal

TABLE S2 Selected bond lengths (Å) of aqua Fe^IIIPhen crystal

TABLE S3 The average of relative viability of cells (%) at different concentration