Thermal properties and crystal structures of ruthenium-containing photoreactive ionic liquids with short substituents

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16

Supporting Information

Thermal properties and crystal structures of ruthenium-containing

photoreactive ionic liquids with short substituents

Ryo Sumitani,a Yusuke Funasako,a† Tomoyuki Mochida*a,b

Department of Chemistry, Graduate School of Science, Kobe University, Rokkodai, Nada,

Kobe, Hyogo 657-8501, Japan

Center for Membrane Technology, Kobe University, Rokkodai, Nada, Kobe, Hyogo

657-8501, Japan

Fig. S1. DSC traces of 1a in the low temperature region recorded at a scan rate of 5 °C min–1,

where Tc indicates the phase transition peak.

Fig. S2. Molecular structures of cation B and anion B in 1a at −173 °C. The hydrogen atoms

were omitted for clarity.

Fig. S3. Molecular structures of cation B and anion B in 1b at −173 °C. The hydrogen atoms

were omitted for clarity. The part displayed in gray represents the disordered moieties.

Table S1.

Crystallographic parameters for 1a and 1b.

1a (−173 °C)

1a (0 °C)

1b (−173 °C)

Empirical formula

C23H26F2N4O7RuS2

C23H26F2N4O7RuS2

C25H26F6N4O7RuS2

Formula weight

673.67

673.67

773.69

Crystal system

Monoclinic

Monoclinic

Orthorhombic

Space group

P21/n

P21/n

Pca21

a (Å)

15.653(2)

7.9875(4)

19.279(4)

b (Å)

18.163(2)

18.2176(9)

7.0227(15)

c (Å)

20.218(3)

18.8031(9)

45.241(10)

 (°)

90

90

90

 (°)

112.705(2)

90.2270(10)

90

 (°)

90.

90

90

V (Å3)

5302.6(12)

2736.1(2)

6125(2)

dcalcd (mg m–3)

1.688

1.635

1.678

T (K)

100

273

100

 (mm–1)

0.814

0.789

0.734

F(000)

2736.0

1368.0

3120.0

Reflections collected

30745

15866

32824

Rint

0.0342

0.0249

0.0278

Goodness-of-fit

1.029

1.023

1.107

R1, wR2 [I > 2(I)]

0.0402, 0.0981

0.0368, 0.0956

0.0527, 0.1218

R1, wR2 (all data)

0.064, 0.1112

0.0488, 0.1037

0.0563, 0.1218

Sample size (m)

86 × 62 × 36

86 × 62 × 36

119 × 107 × 25

...