static-content.springer.com10.1007... · web viewthermal and spectral properties of alkali metal...

Thermal and spectral properties of alkali metal complexes of Vitamin K3 analogue Phthiocol Laxmi Kathawate1, Rishikesh Patil1, Ravi Yadav1, Sunita Salunke-Gawali1*

1Department of Chemistry, Savitribai Phule Pune University, Pune- 411007, India

Supplementary material

1

Figure legends

Fig.S1 FT-IR spectrum of phthiocol and Phth-1 to Phth-5

Fig.S2 1H NMR spectrum of Phth-1 to Phth-5 in DMSO-d6

Fig.S3 DSC (Heating) curve of phthiocol, Phth-1 to Phth-3 and Phth-5

Fig.S4 GC-MS spectra of Phth-1 to Phth-5

Fig.S5 Polycrystalline powder, X-band EPR spectra of Phth-1 at 133 K

Fig.S6 Polycrystalline powder, X- band EPR spectra of Phth-2 at 133 K

Fig.S7 Polycrystalline powder, X- band EPR spectra of Phth-5 at 298 K

Fig.S8 LC-MS Chromatogram of phthiocol

Table legends

Table S1 Elemental analysis data for Phth-4

2

3

Phth

Phth-1

Phth-2

Fig. S1 FT-IR spectrum of phthiocol and Phth-1 to Phth-5

4

Phth-3

Phth-4

Phth-5

Fig. S2 1H NMR spectrum of Phth-1 to Phth-5 in DMSO-d6

5

6

Hea

t flo

w /

mW

Exo

En

do

Hea

t flo

w /

mW

Exo

En

do

Fig. S3 DSC (Heating) curve of phthiocol, Phth-1 to Phth-3 and Phth-57

Hea

t flo

w /

mW

Exo

En

do

Hea

t flo

w /

mW

Exo

En

do

8

Phth-1

Phth-2

Phth-3

Fig.S4 GC-MS spectra of Phth-1 to Phth-5

9

Phth-5

Phth-4

Field Set: 2000 GScan Range: 4000 GModulation Amplitude: 2 GMicrowave Power: 10 mW

Half field check

3200 3400 3600 3800 4000 4200 4400 4600 4800 5000 (G)

Field Set: 4000 G, Scan Range: 2000 GTime constant: 0.63 sec, Scan Time: 4 minModulation Amplitude: 2 GModulation Frequency: 100 KHzReceiver Gain: 1.6 103 10Microwave Power: 10 mWTemperature: 133 KMicrowave frequency: 9.1 GHzSample Code: Phth-1

Field Set: 3000 G, Scan Range: 4000 GTime constant: 0.63 sec, Scan Time: 4 minModulation Amplitude: 1 GModulation Frequency: 100 KHzReceiver Gain: 1.6 103 10Microwave Power: 5 mWTemperature: 133 KMicrowave frequency: 9.1 GHzSample Code: Phth-2

Half field checkField Set: 2000 G, Scan Range: 4000 G

Fig.S5 Polycrystalline powder, X-band EPR spectra of Phth-1 at 133 K

Fig.S6 Polycrystalline powder, X- band EPR spectra of Phth-2 at 133 K

10

Field Set: 3000 G, Scan Range: 2000 G, Time constant: 0.63 sec, Scan Time: 4 minModulation Amplitude: 1 G, Modulation Frequency: 100 KHz, Receiver Gain: 5 102 10Microwave Power: 5 mW, Temperature: 298 K, Microwave frequency: 9.1 GHz, Sample Code: Phth-5

Receiver Gain: 10 102 10

Half field checkField Set: 2000 G, Scan Range: 4000 G

Fig.S7 Polycrystalline powder, X- band EPR spectra of Phth-5 at 298 K

11

Fig.S8 LC-MS Chromatogram of phthiocol

12

Table S1 Elemental analysis data for Phth-4

13

Comp Name

Composition Elemental analysis found / Calc.%M. wt. C% H%

Phth-4 C11H11O5K2 301.40 43.84/43.83 03.68/03.67C11H11O5K2 301.40 43.84/43.83 02.87/03.67