Supplementary Material
Anion Template Effect on the Self-Assembly and Interconversion of Metallacyclophanes
Cristian Saul Campos-Fernández, Brandi L. Schottel, Helen T. Chifotides, Jitendra K. Bera, John Bacsa, John M. Koomen, David H. Russell and Kim R. Dunbar*
Supplementary Figures S1-S6.
S1
Figure S1. Theoretical and experimental (ESI-MS) isotopic distribution patterns of the parent ion peak for [Zn4(bptz)4(ClO4)7]+ at m/z 1902.6.
S2
Figure S2. ESI-MS spectrum of [Mn4(bptz)4(CH3CN)8][ClO4]8. Ion signals at m/z 620.9, 880.7, 1126.7, 1134.5 and 1860.8 (parent ion peak) correspond to [Mn4(bptz)4(ClO4)7 + 2H]3+ (I), [Mn4(bptz)4(ClO4)6]2+ (II), [Mn2(bptz)3(ClO4)3]+ (III), [Mn3(bptz)2(ClO4)5]+ (IV), and [Mn4(bptz)4(ClO4)7]+ (V), respectively. Ion signals due to the progressive loss of bptz molecules are also observed for [Mn4(bptz)4(ClO4)7 – (bptz)]+ and [Mn4(bptz)4(ClO4)7 – 2(bptz)]+ at m/z 1624.6 and 1388.3, respectively. The theoretical and experimental isotopic distribution patterns of the parent ion peak V have been expanded in the inset.
S3
Figure S3. ESI-MS spectrum of [Fe4(bptz)4(CH3CN)8][ClO4]8. Ion signals at m/z 522.3, 622.1, 882.5, 1864.5 correspond to [Fe4(bptz)4(ClO4)4 + H]3+ (I), [Fe4(bptz)4(ClO4)7 +2H]3+ (II), [Fe4(bptz)4(ClO4)6]2+ (III), [Fe4(bptz)4(ClO4)7]+ (IV) (parent ion peak), respectively. Ion signals due to the progressive loss of bptz molecules are also observed for [Fe4(bptz)4(ClO4)7 – (bptz)]+ and [Fe4(bptz)4(ClO4)7 – 2(bptz)]+ at m/z 1628.3 and 1392.0, respectively. The theoretical and experimental isotopic distribution patterns of the parent ion peak IV have been expanded in the inset.
S4
Figure S4. ESI-MS spectrum of [Cu4(bptz)4(CH3CN)8][ClO4]8. Ion signals at at m/z 632.4, 897.9, 1895.2 correspond to [Cu4(bptz)4(ClO4)7 + 2H]3+ (I), [Cu4(bptz)4(ClO4)6]2+ (II), and [Cu4(bptz)4(ClO4)7]+ (III) (parent ion peak), respectively. An ion signal due to the loss of two bptz molecules is also observed for [Cu4(bptz)4(ClO4)7 – 2(bptz)]+ at m/z 1422.7. The theoretical and experimental isotopic distribution patterns of the parent ion peak III have been expanded in the inset.
S5
Figure S5. ESI-MS spectra of the products from the reaction between Ni(ClO4)2•6H2O and bptz in acetonitrile, acetone, nitromethane, and ethanol. Parent ion peak for [Ni4(bptz)4(ClO4)7]+ at m/z 1875.8. The highly polar solvent ethanol does not favor formation of the [Ni4(bptz)4(ClO4)7]+ square.
S6
(A)
(B)
Figure S6. Space-filling packing diagrams viewed along the a-axis of (A) [{Ni4(bptz)4(CH3CN)8}⊂I][SbF6]7 (7) and (B) [{Ni4(bptz)4(CH3CN)8}⊂ClO4][ClO4]7 (2).
S7
