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Supporting Information
A NBD-based two-in-one Cu2+/Ni2+ chemosensor with differential charge transfer processes
Richa Rani, Kamaldeep Paul and Vijay Luxami*School of Chemistry and Biochemistry
Thapar University, [email protected]
Figure SI 1: 1H NMR spectrum of 2
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 2016
2
Figure SI 2: 13C NMR spectrum of 2
3
Figure SI 3: 1H NMR spectrum of probe 1
4
Figure S4: 13C NMR spectrum of probe 1
5
WATERS, Q-TOF MICROMASS (LC-MS) SAIF/CIL,PANJAB UNIVERSITY,CHANDIGARH
m/z60 80 100 120 140 160 180 200 220 240 260 280 300 320 340 360 380 400 420 440 460 480 500
%
0
100AKUL RR-54 8 (0.212) Cm (4:16-20:40) TOF MS ES+
3.10e3398.273098
376.322591
371.32773301.43
717
223.42290
212.44109
297.37191
237.43183 281.37
130
355.32526
313.40195
352.34165
377.34577
387.32109
399.28676
445.25240
429.25231 485.20
151446.26124
Figure S5: Mass spectrum of probe 1.
250 300 350 400 450 500 550 600 650 700 7500
0.3
0.6
0.9
Wavelength (nm)
Abs
.
Cu2+
Ni2+
Probe 1 andother metal ions
Figure S6: The UV-Visible spectra of probe 1 (20 M, CH3OH: H2O:: 1:1) in the presence of various metal ions (50 equiv.).
6
0 2 4 6 80
0.5
1
1.5
2
2.5
3
3.5
[Cu2+] M
A58
5/A
475
Figure S7: Ratiometric plot for the analysis of Cu2+ ions.
0 1 2 3 4 5 6 7 8 9 100
0.1
0.2
0.3
Mol fraction Cu2+
Abs
.
Figure S8: Job’s plot showing the 1: 1 stoichiometry between probe 1 and Cu2+.
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Ligand
Cu2+Zn2+
Co2+
Hg2+
Na+ K+Ca2
+Ag+
Mg2
+Cr3
+Al3+ Ba2
+Pb2+
Fe3+
0
0.1
0.2
0.3
0.4
0.5
0.6
Metal ions
Abs
.
Figure S9: The absorption response of probe 1. Cu2+ (20 M, CH3OH: H2O:: 1:1) at 585 nm in the presence of various interfering metal ions (1 mM).
6 7 8 9 10 11 12 13 14 150
0.1
0.2
0.3
0.4
pH
Abs
.
Probe 1
Cu2+
Figure S10: The effect of pH on absorption of probe 1 (475 nm) and probe 1. Cu2+ (20 M, CH3OH: H2O:: 1:1, 585 nm) .
8
0 2 4 6 8 10 120
0.01
0.02
0.03
0.04
0.05
0.06
0.07
Mol fraction of Ni2+
Abs
.
Figure S11: Job’s plot showing the 1: 1 stoichiometry between probe 1 and Ni2+ at 575 nm.
0 2 4 6 8 10 12 14 16 18 200
0.5
1
1.5
2
2.5
[Ni2+] M
A57
5/A
475
Figure S12: Ratiometric plot for the analysis of Ni2+ ions.
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Ligand
Ni2+ Na+ K+M
g2+
Ag+Al3+
Ca2+
Cr3+
Hg2+
Pb2+Ba2
+Zn2+
Co2+
Fe3+
Fe2+
0
0.1
0.2
0.3
0.4
Metal ions
Abs
.
Figure S13: The absorption response of probe 1. Ni2+ (20 M, CH3OH: H2O:: 1:1) in the presence of various interfering metal ions (1mM) at 575 nm.
200 300 400 500 600 700 8000
0.1
0.2
0.3
0.4
0.5
Ligand
L+Ni
L+Ni+EDTA
Wavelength (nm)
Abs
.
Figure S14: Effect of addition of EDTA on absorption spectra of probe 1.Ni2+ complex.
10
Ligand
Al3+ Cr3+
Ag+Ba2
+Ca2
+Co2
+Cu2+
Pb2+Hg2
+ K+Na+
Ni2+ Fe3+
0
50
100
150
200
Metal ions
F. I
(a. u
)
Figure S15: The absorption response of probe 1. Al3+ (10 M, CH3OH: H2O:: 1:1) in the presence of various interfering metal ions (1mM).
Table S1: Comparison of bond distances of probe 1 with Cu2+ and Ni2+
Bond Distance (Å) M = Cu2+ M = Ni2+
Salicyl H-O….M 1.9587 1.8793NBD =N…M 1.9908 1.8920H-N….M 2.0672 1.9692Schiff =N….M 1.9057 1.8457
-7 -6.5 -6 -5.5 -5
-4
-3
-2
-1
0
1
2
3
log[Cu2+]
log[
(A-A
0)/(A
max
-A)]
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Figure S16: Spectral linear curve fit data for incremental addition of Cu2+ to probe 1 (20 µM, CH3OH: H2O:: 1:1, HEPES buffer, pH = 7.0).
-5.5 -5.4 -5.3 -5.2 -5.1 -5 -4.9 -4.8 -4.7 -4.6 -4.5-0.5
0
0.5
1
1.5
2
log[Ni2+]
log[
(A-A
0)/(A
max
-A)]
Figure S17: Spectral linear curve fit data for incremental addition of Ni2+ to probe 1 (20 µM, CH3OH: H2O:: 1:1, HEPES buffer, pH = 7.0).
200 300 400 500 600 700 8000
0.1
0.2
0.3
0.4
0.5
Ligand Ligand +Cu Ligand Cu+Ni
Wavelength (nm)
Abs
.
Figure S18: Effect of addition Ni2+ on absorption spectrum (1:1) probe 1.Cu2+ (20 µM, CH3OH: H2O:: 1:1, HEPES buffer, pH = 7.0).
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200 300 400 500 600 700 8000
0.1
0.2
0.3
0.4
0.5
Ligand ligand + EDTA Ligand EDTA+Ni
Wavelength (nm)
Abs
.
Figure S19: Effect of addition Ni2+ on absorption spectrum probe 1 having EDTA (1 equiv.) (20 µM, CH3OH: H2O:: 1:1, HEPES buffer, pH = 7.0).
