DOI: 10.5061/dryad.05qfttf8r
title: Data from: Time and magnetic field dependent spectra of NODIPS-Tetracene

description: 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.
description: 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.
description: # Data from: Time and magnetic field dependent spectra of NODIPS-Tetracene
 [Access this dataset on Dryad](DOI:10.5061/dryad.05qfttf8r) ## 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.