Data from: Time and magnetic field dependent spectra of NODIPS-Tetracene
Data files
Jul 24, 2024 version files 16.93 MB
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10C.csv
802.04 KB
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15C.csv
804.08 KB
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2.5per_cw_532nm.csv
21.13 KB
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2.5ww_MPL_integrated.txt
491 B
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30C.csv
810.17 KB
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30per_cw_532nm.csv
21.24 KB
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30per_TRPL.csv
533.76 KB
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30per_values.dat
6.41 KB
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30per_vectors.dat
2.67 MB
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30ww_MPL_integrated.txt
488 B
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30ww_MPL_spectral.txt
4.57 KB
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40C.csv
551.24 KB
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50C.csv
445.01 KB
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50per_CW_532nm.csv
21.18 KB
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50per_TRPL.csv
458.40 KB
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50ww_MPL_integrated.txt
486 B
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50ww_MPL_spectral.txt
5.30 KB
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75per_CW_532nm.csv
16.89 KB
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75per_TRPL.csv
467.42 KB
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75per_values.dat
6.41 KB
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75per_vectors.dat
2.67 MB
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75ww_MPL_integrated.txt
482 B
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75ww_MPL_spectral.txt
5.23 KB
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7C.csv
821.34 KB
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Absorbance.txt
12.43 KB
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Epochs_sigmas_and_MPL_overlays.xlsx
2.02 MB
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neat_CW_532nm.csv
21.16 KB
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neat_MPL_integrated.txt
468 B
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neat_MPL_spectral.txt
4.38 KB
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neat_steady_450nm.csv
22.66 KB
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neat_TRPL.csv
1.07 MB
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neat_values_long.dat
6.36 KB
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neat_vectors_long.dat
2.63 MB
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README.md
4.47 KB
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scree_neat.txt
101 B
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scree30ww.txt
138 B
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scree50ww.txt
142 B
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scree75ww.txt
140 B
Abstract
The photophysical processes of singlet fission and triplet fusion have numerous emerging applications. They respectively involve the separation of a photo-generated singlet exciton into two dark triplet excitons and the fusion of two dark triplet excitons into an emissive singlet exciton. The role of the excimer state and the nature of the triplet-pair state in these processes have been a matter of contention. Here we analyse the room temperature time-resolved emission of a neat liquid singlet fission chromophore and show that it exhibits three spectral components: two that correspond to the bright singlet and excimer states, and a third component that becomes more prominent during triplet fusion. This spectrum is enhanced by magnetic fields, confirming its origins in the recombination of weakly-coupled triplet pairs. It is thus attributed to strongly coupled triplet pair state. These observations unite the view that there is an emissive intermediate in singlet fission and triplet fusion, distinct from the broad, unstructured excimer emission.
README: Data from: Time and magnetic field dependent spectra of NODIPS-Tetracene
Transient photoluminescence
neat_TRPL.csv, 75per_TRPL.csv, 50per_TRPL.csv, 30per_TRPL.csv
Samples were excited with a 532nm Nd:YAG laser (Piccolo Innolas, 800 ps pulse duration)and collected with a iCCD (Princeton instruments). A 532nm notch filter blocks the laser scatter and the 532nm excitation is cleaned up with a 532nm linepass filter.
Description of the data and file structure
The data is area normalised. The first column is wavelength and the first row is time in nanoseconds. The remainder of the columns are the area normalised PL intensity.
Absorbance
Absorbance.txt
SteadyState absorption measurements taken with a Shimadzu UV-Vis Spectrophotometer (UV2600)
Description of the data and file structure
1st column is wavelength in nm, second column is the neat sample and third column the diluted sample. The data is height normalised.
Continuous-wave photoluminescence
neat_steady_450nm.csv, neat_CW_532nm.csv, 75per_CW_532nm.csv, 50per_CW_532nm.csv, 30per_CW_532nm.csv, 2.5per_CW_532nm.csv,
Samples were excited with a 532nm CW-laser (Thorlabs) and collected with a iCCD (Princeton instruments) set at a wide gatewidth. A 532nm notch filter blocks the laser scatter.
Description of the data and file structure
Two columns the first column is wavelength and the second column photoluminescence intensity.
Epochs sigmas and overlays
Epochs_sigmas_and_MPL_overlays.xls
This is a work book that has the linear combinations for the epoch spectra and the species derived spectra which are derived from the TRPL data. It also shows the calculation of the overlays for the MPL data
Magneto photoluminescence
neat_MPL_spectra.txt, 75ww_MPL_spectra.txt, 50ww_MPL_spectra.txt, 30ww_MPL_spectra.txt
neat_MPL_integrated.txt, 75ww_MPL_integrated.txt, 50ww_MPL_integrated.txt, 30ww_MPL_integrated.txt, 2.5ww_MPL_integrated.txt
Samples were excited with a 532nm CW-laser (Thorlabs) and collected with a fibre optic onto a spectrometer (Flame, Ocean Optics) while a magnetic field is cycled through the sample with an electromagnet (Magnetech MFG-6-24. The field is controlled by a DC power supply (Keithley 2230G-30-10. A gaussmeter (Lakeshore 475) was employed to calibrate the field.
Description of the data and file structure
Integrated data has data consisting of three columns field in milli-Tesla, integrated photoluminescence and the standard error of the mean in the third column.
in the spectral folder the data reported is at 210mT with the first column being wavelength, the second wavelength intensity and the third the standard error of the mean.
Principal component analysis
neat_vectors_long.dat, neat_values_long.dat, 75per_vectors.dat, 75per_values.dat, 30per_vectors.dat, 30per_values.dat
scree_neat.txt, scree75ww.txt, scree50ww.txt, scree30ww.txt
Principal component analysis and the resulting scree plots of the transient photoluminescence data
Description of the data and file structure
There are two sets of data in this folder described as values and vectors. In the values file the weighting of the derived component is reported. The last six numbers in these columns responds to the data reported in the manuscript. From these weights the scree plots are worked out. The first column of the scree data is the principal component, the second variance in the principal components and the third the cumulative variance of the principal components.
The second set of data are the vectors of the principal components with the 1st column reporting the wavelength in nm. The last 6 columns are the principal components with the most weighting and statistical significance.
Temperature Dependent Transient photoluminescence
7C.csv, 10C.csv, 15C.csv, 30C.csv, 40C.csv, 40C.csv
Samples were excited with a 532nm Nd:YAG laser (Piccolo Innolas, 800 ps pulse duration)and collected with a iCCD (Princeton instruments). A 532nm notch filter blocks the laser scatter and the 532nm excitation is cleaned up with a 532nm linepass filter. The samples were heated or cooled with a temperature controlled cuvette holder.
Description of the data and file structure
The data is area normalised. The first column is wavelength and the first row is time in nanoseconds. The remainder of the columns are the area normalised PL intensity.
Methods
Time-resolved photoluminescence spectroscopy (TRPL) was carried out using a SpitLight Picolo, ND:YVO4 laser system with pulse duration of 800 ps at a repetition rate of 1 kHz and wavelength of 532 nm. Photoluminescence was detected using a spectrometer (Princeton Instruments 2300i) equipped with a 300 groove-per-millimetre grating blazed at 500 nm, and an intensified time-gated camera (Princeton Instruments Pi Max-4).
Steady-state optical absorption spectroscopy was performed with a Cary 60 UV-Visible-NIR spectrometer covering a wavelength range of 190-1100 nm.
For steady-state photoluminescence measurements, samples were excited by a 532 nm continuous-wave (CW) laser. The photoluminescence was collected an imaged onto a multi-mode optical fibre by two off-axis parabolic mirrors. An Ocean Optics Flame spectrometer was used to collect the photoluminescence spectrum.