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Electronic Supplementary Information for 1D Hacksaw Chain Bipyridine-Sulfonate Schiff Base-Dicopper(II) as a Host for Variable Solvent Guests Susanta Hazra,* M. Fátima C. Guedes da Silva,* Anirban Karmakar and Armando J. L. Pombeiro* Centro de Química Estrutural, Instituto Superior Técnico, Universidade de Lisboa, Av. Rovisco Pais, 1049–001, Lisbon, Portugal. E-mail: [email protected], [email protected] and [email protected]. Figure S1. Idealized ball and stick presentation of the crystal structure of [Cu 2 L 2 (4,4’- bipy)]·2nMeOH (5). All hydrogen atoms are removed for clarity. Symmetry: i) –1–x, 1–y, 2–z; ii) 1–x, –y, 1–z. Electronic Supplementary Material (ESI) for RSC Advances. This journal is © The Royal Society of Chemistry 2015

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Page 1: Electronic Supplementary Information for for Variable ... · Electronic Supplementary Information for 1D Hacksaw Chain Bipyridine-Sulfonate Schiff Base-Dicopper(II) as a Host for

Electronic Supplementary Information

for

1D Hacksaw Chain Bipyridine-Sulfonate Schiff Base-Dicopper(II) as a Host for Variable Solvent Guests

Susanta Hazra,* M. Fátima C. Guedes da Silva,* Anirban Karmakar and Armando J. L. Pombeiro*

Centro de Química Estrutural, Instituto Superior Técnico, Universidade de Lisboa, Av. Rovisco Pais, 1049–001, Lisbon, Portugal. E-mail: [email protected], [email protected] and [email protected].

Figure S1. Idealized ball and stick presentation of the crystal structure of [Cu2L2(4,4’-bipy)]·2nMeOH (5). All hydrogen atoms are removed for clarity. Symmetry: i) –1–x, 1–y, 2–z; ii) 1–x, –y, 1–z.

Electronic Supplementary Material (ESI) for RSC Advances.This journal is © The Royal Society of Chemistry 2015

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Figure S2. Solvent packing of the compound 5. All hydrogen atoms are omitted for clarity. Solvent molecules are presented as idealized space fill model.

Figure S3. Perspective view of the hacksaw chains in polymers 1–6.

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O

N

Cu

O

O

N

Cu

O

N

N

Figure S4. Facial edge-sharing (pink dotted line) inverted diphenoxo bridged square pyramidal copper(II) geometries in 1–6.

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Figure S5. PXRD diffractograms of compound 1: A) obtained from 4, and B) calculated using the respective CIF file

A

B

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Figure S6. PXRD diffractograms of compound 2: A) obtained from 3, and B) calculated using the respective CIF file

A

B

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Figure S7. PXRD diffractograms of compound 3: A) obtained from 2, and B) calculated using the respective CIF file

A

B

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Figure S8. PXRD diffractograms of compound 4: A) obtained from 1, and B) calculated using the respective CIF file

A

B

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300 400 500 600 700 8000.0

0.2

0.4

0.6

0.8

1.0

1.2

Abso

rban

ce

Wavelength (nm)

1

2

3

4

Figure S9. UV-vis spectra (270–800 nm) of 1–4 at room temperature.

Figure S10. FT-IR spectrum (4000–400 cm–1) of 1.

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Figure S11. FT-IR spectrum (4000–400 cm–1) of 2.

Figure S12. FT-IR spectrum (4000–400 cm–1) of 3.

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Figure S13. FT-IR spectrum (4000–400 cm–1) of 4.

Figure S14. FT-IR spectrum (4000–400 cm–1) of 5.