2+ and resultant complex as sensor for cl displacement assay with biginelli product: ratiometric...
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Counterion displacement assay with Biginelli product: Ratiometric Sensor for Hg2+ and Resultant complex as sensor for Cl-
AmanpreetKaur,a HemantSharma,bNarinderSingh,bNavneetKaura*
a Centre for Nanoscience and Nanotechnology (UIEAST), Panjab University, Chandigarh, India, 160014. bDepartment of Chemistry, Indian Institute of Technology Ropar (IIT Ropar), Rupnagar, Panjab, India, 140001. Corresponding Author: + 911722534464 [email protected] Table of Contents
Figure S1.1H NMR spectrum of Sensor1.
Figure S2.13C NMR spectrum of Sensor1.
Figure S3.IR spectrum of Sensor1.
Figure S4. Mass spectrum of Sensor1.
Figure S5.1H NMR spectrum of Sensor2.
Figure S6.13C NMR spectrum of Sensor2.
Figure S7.IR spectrum of Sensor2.
Figure S8. Mass spectrum of Sensor2.
Figure S9. Partial 1H NMR spectrum of Sensor1 + Hg2+.
Figure S10.PartialIR spectrum of Sensor1 and 1 + Hg2+.
Figure S11.UV-Vis absorption spectra of 1-2 (10 µM)in DMF/H2O (7/3; v/v) solvent system.
Figure S12.Fluorescence spectra of 1-2 (10 µM)in DMF/H2O (7/3; v/v) solvent system(λex=338 nm).
Figure S13. Salt perturbation studies of 1 recorded with 10 µM concentration of sensor in DMF/H2O (7:3, v/v) solvent system with the respective fluorescence spectrum recorded upon addition of 100 equiv. of tetrabutylammonium nitrate under the same concentration of sensor and solvent system.
Figure S14.Job’s plot between sensor1 and Hg(II). The concentration of [HG] was calculated by the equation [HG] = ΔI/Io ×[H].
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Figure S15.pH titration of Sensor 1 (10 µM)in DMF/H2O (1/9; v/v) solvent system (λex=338 nm).
Figure S16.UV-Vis absorption spectra of(1)2.Hg2+ (2.5 µM) in THF/H2O (4:1, v/v) solvent system.
Figure S17.Fluorescence spectrum of (1)2.Hg2+ (2.5 µM) in THF/H2O (4:1, v/v) solvent system (λex=338 nm).
Figure S18. Size distribution of complex (1)2.Hg2+ in DMF/H2O (8:92, v/v) solvent system.
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Figure S1. 1H NMR spectrum of Sensor1.
Figure S2. 13C NMR spectrum of Sensor1.
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Figure S3.IR spectrum of Sensor1.
Figure S4. Mass spectrum of Sensor1.
M+1
100 120 140 160 180 200 220 240 260 280 300 320 340 360 380 400 420 4
%
0
100 311.11735
248.11129
185.01059
144.0232109.1
212140.0192
126.0136
124.1;63 128.197
169.1204
149.0204
179.0102
209.2341
205.0235
191.0156
227.2288210.1
230
226.2121
247.0113
279.1977
250.1361
255.1258
259.189
280.1247 297.1
218
281.181
387.11072
312.1466
336.2180325.1
135313.1
97
355.1176
338.372
359.263
435.3972
388.1309
414.1215
412.1;136
389.185
415.180
432
4
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Figure S5. 1H NMR spectrum of Sensor2.
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Figure S6. 13C NMR spectrum of Sensor2.
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Figure
Figure
Tra
nsm
ittan
ce
100
%
0
100
104.01062
106.0473
S7. IR spec
S8. Mass sp
0.94
0.95
0.96
0.97
0.98
0.99
1
1.01
500
120 140
155116
137.1539
149.0237
ctrum ofSen
pectrum of
1000
160 180
183.13342
5.161
158.0254
179.0206
191.0476
nsor2.
Sensor 2.
1500Wave
200 220
205.0885
207.0313 230.1
241227.2201
2000number (c
240 260
248.15167
250.11734
2
256.1778
257.1180
2500cm-1)
280 300
279.11185
297.1903
281.1523
282.3242
298.1210
3000
320 340
325.12974
338.3883
326.1762 342.1
452
M+
3500 4
360 380
385.14610
386.11276
387.224
1
4000
400 420
407.11283
16
24
408.1350
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Figure S9. Stacked partial1H NMR spectra of: (A) Sensor 1 and (B-D) upon successive addition of Hg2+ to the solution of Sensor 1.
Figure S10. Stacked partial IR spectra of Sensor1 and 1 + Hg2+.
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Figure S11. UV-Vis absorption spectra of 1-2(10 µM)in DMF/H2O (7/3; v/v) solvent system.
Figure S12. Fluorescence spectra of 1-2 (10 µM)in DMF/H2O (7/3; v/v) solvent system(λex=338 nm).
0
0.2
0.4
0.6
0.8
1
270 300 330 360 390
Ab
sorb
an
ce
Wavelength (nm)
Sensor 1
Sensor 2
0
200
400
600
800
325 375 425 475 525
Flu
ore
sce
nce
Inte
nsi
ty
Wavelength (nm)
Sensor 1
Sensor 2
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Figure S13. Salt perturbation studies of 1recorded with 10 µM concentration of sensor in DMF/H2O (7:3, v/v) solvent system with the respective fluorescence spectrum recorded upon addition of 100 equiv. of tetrabutylammonium nitrate under the same concentration of sensor and solvent system.
Figure S14. Job’s plot between sensor1 and Hg(II). The concentration of [HG] was calculated by the equation [HG] = ΔI/Io ×[H].
0
200
400
600
800
1000
330 380 430 480 530
Flu
ore
sce
nce
Inte
nsi
ty
Wavelength (nm)
Sensor 1Sensor 1 + TBA‐NitrateSensor 2Sensor 2 + TBA‐Nitrate
0
5E‐08
0.0000001
1.5E‐07
0.0000002
2.5E‐07
0.0000003
3.5E‐07
0 0.2 0.4 0.6 0.8 1
[HG]
[H]/[H]+[G]
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Figure S15. pH titration of Sensor1(10 µM)in DMF/H2O (1/9; v/v) solvent system (λex=338 nm).
Figure S16. UV-Vis absorption spectra of(1)2.Hg2+ (2.5 µM) in THF/H2O (4:1, v/v) solvent system.
0
200
400
600
800
1000
300 350 400 450 500 550 600
Flu
ore
sce
nce
Inte
nsi
ty
Wavelength (nm)
10.48 10.16 9.95
9.61 8.8 8.24
7.88 7.39 6.43
6.12 5.61 5.28
4.87 4.42 4.24
3.97 3.55 3.33
2.69 2.06 10.8
10.9 11.6 12.1
0
0.2
0.4
0.6
0.8
1
260 310 360
Ab
sorb
an
ce
Wavelength (nm)
1 + Hg(II)
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Figure S17. Fluorescence spectrum of (1)2.Hg2+ (2.5 µM) in THF/H2O (4:1, v/v) solvent system (λex=338 nm).
Figure S18. Size distribution of complex (1)2.Hg2+ in DMF/H2O (8:92, v/v) solvent system.
0
100
200
300
365 415 465 515 565
Flu
ore
sce
nce
Inte
nsi
ty
Wavelength (nm)
1+Hg(II)
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