Supporting information

Diphenylether based derivatives as Fe (III) chemosensors:Spectrofluorimetry, Electrochemical and Theoretical studies

Rashmi Sharma, Manmohan Chhibber*, Susheel K MittalThapar University, Patiala.

Table S1 Comparison of chemosensors used for detection of Fe3+ by various techniques

Table S2 Binding energies between DPE molecules and Fe3+

Figure S1 (a) 1H NMR spectra of DPE-I.

Figure S1 (b) 13C NMR spectra of DPE-I.

Figure S2 (a) 1H NMR spectra of DPE-II.

Figure S1 (b) 13C NMR spectra of DPE-II.

Figure S3 UV-Visible absorption spectra of (A) DPE-I (20 µM) and (B) DPE-II (20 µM)

upon addition of a particular metal salt in HEPES buffered ACN/H2O (9:1, v/v)

solvent system.

Figure S4 Ratiometric behavior of DPE-I and DPE-II in presence of various Fe3+ ions conc.

in HEPES buffered ACN/H2O (9:1, v/v) solvent system.

Figure S5 CV and DPV graphs of DPE-I and DPE-II with increase in scan rate in HEPES

buffered ACN/H2O (9:1, v/v) solvent system.

Figure S6 CV and DPV graphs of DPE-I and DPE-II with various concentrations of active

species in HEPES buffered ACN/H2O (9:1, v/v) solvent system.

Figure S7 CV and DPV graphs of DPE-I and DPE-II with different solvent systems.

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

Table S1: Comparison of chemosensors used for detection of Fe3+ by various techniques

S. No. Receptors Technique used Interference Linear range Reference

12-amino-6-methyl-4-phenyl-nicotinonitrile

Fluorescence Hg2+ 2×10-4 to 7×10-4M 42

2 Aminobisulfonate receptor Fluorescence Cu2+ 16×10−6 to

63×10−6 M 7

3 Diphenylfluorenes UV, Fluorescence Co2+ 1×10−6 to

8×10−6 M 3

4Dimethyliminocinnamyl linked rhodamine

Voltammetry NA 1.0×10−1 to 1.0×10−5M 43

5 Terpyridine based UV,Colorimetry Ag+ 2.0×10−5 to

8.0×10−5M 44

6 Proposed chemosensor

UV, Fluorescence,

CV, DPV

No interference

1×10−6 to2.5×10−6 M

Present work

Table S2 Binding energies between DPE molecules and Fe3+

Receptor Energy in a.u

DPE-I -1175

DPE-I+Fe3+ -1298

DPE-II -1177

DPE-II+Fe3+ -1299

OCH3

OHC

ONO2

NO2

Figure S1 (a) 1H NMR spectra of DPE-I.

OCH3

OHC

ONO2

NO2

Figure S1 (b) 13C NMR spectra of DPE-I.

OCH3

HOH2C

ONO2

NO2

Figure S2 (a) 1H NMR spectra of DPE-II.

OCH3

HOH2C

ONO2

NO2

Figure S1 (b) 13C NMR spectra of DPE-II.

200 300 400 500 600 700 8000.0

0.5

1.0

1.5Ab

sorb

ance

Wavelength(nm)

Ligand Na2+

K+

Ni2+

Cu2+

Hg2+

Co2+

Zn2+

Ba2+

Fe3+

200 300 400 500 600 700 800

0.0

0.5

1.0

1.5

2.0

Abso

rban

ce

Wavelength(nm)

Ligand Ba2+

Pb2+

K+

Fe2+

Cu2+

Co2+

Ni2+

Hg2+

Na2+

Zn2+

Figure S3 UV-Visible absorption spectra of (a) DPE-I (20 µM) and (b) DPE-II (20 µM) upon addition of a particular metal salt in HEPES buffered ACN/H2O (9:1, v/v) solvent system.

(a)

(b)

0 2 4 6 8 10

0

200

400

600

800

1000F.

I. (a

.u)

Conc. of Fe3+ (1 × 10-4 M)

0 1 2 3 4 5 6

0

5

10

15

20

25

I 424/I 31

4 (a.u

.)

Conc. of Fe3+(1 × 10-4

R2 =0.998

Figure S4 Ratiometric behavior of (a) DPE-I (b) DPE-II in presence of various Fe3+ ions conc. in HEPES buffered ACN/H2O (9:1, v/v) solvent system.

(a)

(b)

Figure S5 CV and DPV graphs of DPE-I and DPE-II with increase in scan rate in HEPES buffered ACN/H2O (9:1, v/v) solvent system.

Figure S6 CV and DPV graphs of DPE-I and DPE-II with various concentrations of active species in HEPES buffered ACN/H2O (9:1, v/v) solvent system.

Figure S7 CV and DPV graphs of DPE-I and DPE-II with different solvent systems.