Photochemical reactivity of a

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1 Electronic Supplementary Material (ESI) for CrystEngComm. This journal is The Royal Society of Chemistry 2014 Photochemical reactivity of a lamellar Lanthanum MOF Adonis Michaelides,* a, Maria Aravia, a Michael G. Siskos* a and Stavroula Skoulika* a vskoul@uoi.gr, amihail@uoi.gr, msiskos@cc.uoi.gr Department of Chemistry, University of Ioannina, Ioannina, Greece

2 Figure S1. ORTEP drawing of the asymmetric unit of compound 1.

3 Figure S2. Top: DTG analysis of compound 1. Bottom: DSC analysis of compound 1.

4 k=5.4x10-2 (s -1 ) cm cm -1 absorbance k=4.3x10-2 (s -1 ) time (s) Figure S3. Top: IR spectrum of compound 1as a function of irradiation time. Bottom: Absorbance in two spectral regions as a function of irradiation time with the corresponding calculated reaction constants for compound 1.

5 f1 (ppm) f1 (ppm) Figure S4. 1 H-NMR spectrum of the photoreaction products of 1 (1 h of irradiation) in alkaline D 2 O solution.

6 (a) (b) (c) (d) (e) Figure S5.(a) Conformations of the hexadiendionc dianion and the photoproducts, in the anionic form, as obtained from DFT calculation.

7 δ calc =7.15 ppm δ exp = 7.02 ppm δ calc =3.38 ppm δ exp = 2.85 ppm (a) Hb δ calc =6.25 ppm δ exp = 6.14 ppm (c) δ calc =2.65 ppm δ exp = 2.35 ppm (b) δ calc =4.03 ppm δ exp = 3.80 ppm δ calc =5.65 ppm δ exp = 5.70 ppm δ calc =3.38 ppm δ exp = 3.45 ppm δ calc =3.19 ppm δ exp = 3.17 ppm (d) H c H c H d H d δ calc =6.74 ppm δ exp = 6.65 ppm δ calc =5.97ppm δ exp = 5.80 ppm δ calc =2.78ppm δ exp = 2.81 ppm H c H c δ calc =5.88 ppm δ exp = 5.80 ppm H d δ calc =2.57 ppm δ exp = ppm H d δ calc =6.45 ppm δ exp = 6.65 ppm (e) Figure S5(b). Calculated and experimental chemical shifts of the hexadiendionc dianion and all photoproducts( in the anionic form).

8 Figure S6. From bottom to the top: DSC analysis, TG analysis and DTG analysis of the photoproduct obtained after irradiation of compound 1 for 1 hour.

9 Figure S7.(a) TG analysis of hydrates 2 (top) and 2r (bottom).

10 Figure S7. (b) TG analysis of hydrates 3 (top) and 3r (bottom).

11 Figure S7.(c) TG analysis of hydrates 4.

12 absorbance 4.0 area cm area cm k=1.6x10-2 k=1.4x time (s) Figure S8 (a). Top: IR spectrum of compound 2. Bottom: Absorbance in two spectral regions as a function of irradiation time with the corresponding calculated reaction constants for compound 2.

13 area cm -1 area cm -1 k=3.2x10-2 k=2.5x10-2 absorbance time (s) Figure S8(b). Top: IR spectrum of compound 2r.. Bottom: Absorbance in two spectral regions as a function of irradiation time with the corresponding calculated reaction constants for compound 2r.

14 6 area cm -1 area cm -1 k=7.5x10-3 k=7.3x10-3 absorbance time (s) Figure S8(c). Top: IR spectrum of compound 3. Bottom: Absorbance in two spectral regions as a function of irradiation time with the corresponding calculated reaction constants for compound 3.

15 area cm -1 area cm -1 k=2.1x10-2 k=1.6x10-2 absorbance time (s) Figure S8(d). Top: IR spectrum of compound 3r. Bottom: Absorbance in two spectral regions as a function of irradiation time with the corresponding calculated reaction constants for compound 3r.

16 absorbance area cm -1 ) area cm -1 k=16.1x10-2 k=12.2x time (s) Figure S8(e). Top: IR spectrum of compound 4. Bottom: Absorbance in two spectral regions as a function of irradiation time with the corresponding calculated reaction constants for compound 4.

17 f1 (ppm) f1 (ppm) Figure S9. 1 H-NMR spectrum of the photoreaction products of 3r (6 h of irradiation) in alkaline D 2 O solution.

Electronic Supplementary Information (ESI) for. Stereoselective photoreaction in P-stereogenic dithiazolylbenzo[b]phosphole chalcogenides

Electronic Supplementary Material (ESI) for New Journal of Chemistry. This journal is The Royal Society of Chemistry and the Centre National de la Recherche Scientifique 216 Electronic Supplementary Information