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Electronic Supplementary Information
‘Pourbaix Sensors’: A New Class of Fluorescent pE-pH Molecular
AND Logic Gates based on Photoinduced Electron Transfer
Thomas J. Farrugia and David C. Magri*
Department of Chemistry, The University of Malta, Msida, MSD 2080, Malta.
[email protected]
Table of Contents Instrumentation……………………………………………………………………………....2 Figure S1. 1H NMR spectrum of compound 2 in CDCl3……………………………………..3 Figure S2. 13C NMR spectrum of compound 2 in CDCl3…………………………….………4
Figure S3. 13C DEPT NMR spectrum of compound 2 in CDCl3……………………………..5
Figure S4. FT-IR spectrum of compound 2 as a thin film between NaCl plates……………..6
Figure S5. UV-visible absorption spectra of 2 in methanol…………………………………..7
Electronic Supplementary Material (ESI) for New Journal of ChemistryThis journal is © The Royal Society of Chemistry and The Centre National de la Recherche Scientifique 2012
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INSTRUMENTATION
1H, 13C and 13C DEPT NMR spectra were recorded at room temperature on a Bruker AM 250
NMR spectrometer equipped with a 1H/13C 5mm dual probe at 250.1 and 62.9 MHz,
respectively, with CDCl3 as the solvent. Spectra are reported in ppm versus tetramethylsilane
(δ = 0.00) for 1H NMR and CDCl3 (δ = 77.00) for 13C NMR. The infra-red spectrum was
recorded on a Shimadzu IR-Affinity 1 spectrometer as a thin film from dichloromethane
between NaCl plates. Electron impact (EI) spectra were performed on a Thermo Finnigan
Trace DSQ spectrometer. The melting point was recorded on a Griffin melting point
apparatus and is uncorrected. UV-visible absorption and fluorescence spectra were recorded
on a Jasco V-650 spectrophotometer and Jasco FP-8300 fluorescence spectrometer,
respectively. Fluorescence experiments were performed in emission mode with the
excitation and emission slit widths both at 2.5 nm.
Electronic Supplementary Material (ESI) for New Journal of ChemistryThis journal is © The Royal Society of Chemistry and The Centre National de la Recherche Scientifique 2012
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Figure S1. 1H NMR spectrum of compound 2 in CDCl3.
(ppm)
0.00.51.01.52.02.53.03.54.04.55.05.56.06.57.07.58.08.5
(ppm)
7.307.407.507.607.707.807.908.008.108.208.308.40
CHCl3
Hg, Hh, Hi, Hj, Hk
Ha
Hd
HcHb
Hf
H2O
He
TMS
--
NCH3
Fe2+
a
aa
a
a
b
b
c
c
d
e f
gg
hh
ii
jj k
Electronic Supplementary Material (ESI) for New Journal of ChemistryThis journal is © The Royal Society of Chemistry and The Centre National de la Recherche Scientifique 2012
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(ppm)
0102030405060708090100110120130
Figure S2. 13C NMR spectrum of compound 2 in CDCl3.
--
NCH3
Fe2+
Electronic Supplementary Material (ESI) for New Journal of ChemistryThis journal is © The Royal Society of Chemistry and The Centre National de la Recherche Scientifique 2012
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Figure S3. 13C DEPT NMR spectrum of compound 2 in CDCl3.
(ppm)
35404550556065707580859095100105110115120125130135140145150
--
NCH3
Fe2+
Electronic Supplementary Material (ESI) for New Journal of ChemistryThis journal is © The Royal Society of Chemistry and The Centre National de la Recherche Scientifique 2012
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Figure S4. FT-IR spectrum of compound 2 as a thin film between NaCl plates.
Electronic Supplementary Material (ESI) for New Journal of ChemistryThis journal is © The Royal Society of Chemistry and The Centre National de la Recherche Scientifique 2012
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0
0.5
1
1.5
2
200 250 300 350 400 450 500
Fe(III) & H+Fe(III)H+No input
Abso
rban
ce
Wavelength/nm
Figure S5. UV-visible absorption spectra of 2 in methanol.
Electronic Supplementary Material (ESI) for New Journal of ChemistryThis journal is © The Royal Society of Chemistry and The Centre National de la Recherche Scientifique 2012
