Room-temperature quantum coherence of entangled multiexcitons in a metal-organic framework
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Links to publications that cite or use the data:
Yamauchi, K. Tanaka, M. Fuki, S. Fujiwara, N. Kimizuka, T. Ryu, M. Saigo, K. Onda, R. Kusumoto, N. Ueno, H. Sato, Y. Kobori, K. Miyata, N. Yanai, Room-temperature quantum coherence of entangled multiexcitons in a metal-organic framework, Sci. Adv. 2024, 10, eadi3147.
https://www.science.org/doi/10.1126/sciadv.adi3147

Experimental details are written in the paper.

File list:
Fig2B.xlsx
Fig2C.xlsx
Fig3.xlsx
Fig. 4A.csv
Fig4A_100ns_10us_sim.csv
Fig4C_nsTA150Kexp.csv
Fig4C_nsTA150Ksim.csv
Fig6C.csv
Fig6C_sim.csv
Fig6D.csv
Fig6D_sim.csv
Fig6E_rev.csv
Data_Fig6F.csv
FigS1.xlsx
FigS3.xlsx
FigS4.xlsx
FigS5.xlsx
Data_figS6A.csv
Data_figS6B.xlsx
Data_FigS7AB.csv
FigS8.xlsx
FigS8_sim.csv
Data_FigS9AB.csv
Data_FigS10A.csv
Data_FigS10B.csv
Data_FigS10C.csv
FigS11_A_C.csv
FigS12B.csv
FigS13_MOF_Pc_RT_3Ddata_4us.csv
FigS15_Nutation_profile.csv
FigS15_FT_spect.csv
FigS16B.csv
FigS16C.csv
FigS16C_fit.csv
FigS16D.csv
FigS16D_fit.csv
FigS18_THz_MOF_data.csv

Relationship between files:
Written in each data (If it exists)

Abbreviations:
MOF: Metal-Organic Framework
PXRD: Powder X-Ray Diffraction
UV-vis: Ultraviolet-visible
TA: Transient Absorption Spectroscopy
TAS: Transient Absorption Spectroscopy
EAS: Evolution Assisted Spectra
abs: absorption
CW-TREPR: Continuous-Wave Electron Paramagnetic Resonance
EPR: Electron Paramagnetic Resonance
TGA: Thermogravimetric Analysis
STP: Standard Temperature and Pressure
FFT: Fast Fourier Transform
THz: Terahertz

Pn-MOF and PDBA are names of the samples used in this research.
Pn-MOF is a MOF consisited by PDBA (molecules) and zirconium cluster.
Measurements were conducted in neat conditions of each sample, dispersed in paraffin, or in DMF (dimethylformamide) solution.

Description of the data and file structure

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DATA-SPECIFIC INFORMATION FOR: Fig2B.xlsx

Variable List:

2theta (degree): the diffraction angle of each samples in PXRD

Intensity (a.u.): the signal intensity of each samples in PXRD

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DATA-SPECIFIC INFORMATION FOR: Fig2C.xlsx

Variable List:

Wavelength (nm) :the measurement wavelength in UV-visible absorption measurements

Intensity (a.u.) : the signal intensity of each samples in UV-visible absorption measurements

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DATA-SPECIFIC INFORMATION FOR: Fig3.xlsx

For Fig3A

Variable List:

Wavelength (nm): the wavelength of each data at each time

time (ps): the time that took the transient absorption spectra

Delta_abs (a.u.): the absorption changes at each time in ns-TAS measurements

For Fig3B

Variable List:

time (ps): the time that took the data

Delta_abs (a.u.): the time profile of absoption changes of experimental and fitted data at 485 nm and 530 nm in ns-TAS measurements

For Fig3C

Variable List:

Wavelength (nm): the measurement wavelength at each time in ns-TAS measurements

EAS (a.u.): the evolution assisted spectra of the first component (S1) and the second component (TT) in ns-TAS measurements

For Fig.3D

Variable List:

Time (ns): the time that took the data

Delta_abs_530 (a.u.): the time profile of absoption changes at 530 nm at 300 K and 150 K

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DATA-SPECIFIC INFORMATION FOR: Fig. 4A.csv and Fig4A_100ns_10us_sim.csv

Fig4A_100ns_10us_sim.csv is simulated spectra of Fig4A.csv

Variable List:

Magnetic field (mT): the magnetic field of each data

time (µs): the time that take the spectra, 0.1-10 us were shown

Intensity (a.u.): the intensity of CW-TREPR signals

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DATA-SPECIFIC INFORMATION FOR: Fig4C_nsTA150Kexp.csv, Fig4C_nsTA150Ksim.csv, Fig4C_nsTA300Kexp.csv and Fig4C_nsTA300Ksim.csv

Fig4C_nsTA150Ksim.csv and Fig4C_nsTA300Ksim.csv are the simulated data of each corresponding experimental data (same as Fig.3D).
the third and fourth columns mean the changes derived from 5TT and (T+T) state.

Variable List:

Time (ns): the time that took the data

Delta_abs_530 (a.u.): the time profile of absoption changes at 530 nm at 300 K and 150 K

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DATA-SPECIFIC INFORMATION FOR: Fig6C.csv and Fig6C_sim.csv

Fig6C_sim.csv is simulated spectra of Fig6C.csv.

Variable List:

Magnetic field (mT): the magnetic field of each data

Intensity (a.u.): the intensity at each magnetic field

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DATA-SPECIFIC INFORMATION FOR: Fig6D.csv and Fig6D_sim.csv

Fig6D_sim.csv is simulation of Fig6D.csv.
The last two raws of the simulation data mean the nutation profile from ?0,±1and ?±2,±1 tranditions, respectively.

Variable List:

Nutation pulse duration (ns): the duration of nutation pulse sequence of each data

Intensity (a.u.): the intensity of pulsed EPR signal (correspond to y-magnetization) with each duration

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DATA-SPECIFIC INFORMATION FOR: Fig6E_rev.csv

The second and third columns means nutation profile considering with the dihedral angle change between 130 degree to 122 degree and 130 degree to 150 degree, respectively.

Variable List:

Nutation pulse duration (ns): the duration of nutation pulse sequence of each data

Intensity (a.u.): the intensity of pulsed EPR signal (correspond to y-magnetization) with each duration

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DATA-SPECIFIC INFORMATION FOR: Data_Fig6F.csv

Variable List:

Time (ns): the time that took each data

Intensity (a.u.): the time profile of CW-TREPR intensity (the second column) and the echo intensity (the fourth column; simulated and sixth column; experimental)

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DATA-SPECIFIC INFORMATION FOR: FigS1.xlsx

Variable List:

Wavenumber (cm-1): the wavenumber that took each data

Transmittance (a.u.): the transmittance of each samples in FT-IR measurements

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DATA-SPECIFIC INFORMATION FOR: FigS3.xlsx

Variable List:

Temperature (Celsius degree): the temperature that took each data

Weight loss (%): the weight loss of the sample in TGA

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DATA-SPECIFIC INFORMATION FOR: FigS4.xlsx

Adsorption and desorption process were separated.

Variable List:

Relative pressure (p/p0, relative pressure to saturation vapor pressure): the relative pressure that took each data

N2 uptake (cm3 (STP) g-1): the N2 uptake of the MOF

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DATA-SPECIFIC INFORMATION FOR: FigS5.xlsx

Data taken at each temperature were separated in different tabs.

Variable List:

Wavelength (nm): the wavelength that took the data

Time (ns): the time that took the data

Delta_mOD (a.u.): the absorption changes at each wavelength in ns-TAS measurements

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DATA-SPECIFIC INFORMATION FOR: Data_figS6A.csv and Data_figS6B.xlsx

Variable List:

Magnetic field (mT): the magnetic field of each data

Orientation change (degree) : The change of relative dihedral angle between two pentacenes

Intensity (a.u.): the simulated EPR intensity at each magnetic field with each orientation change

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DATA-SPECIFIC INFORMATION FOR: Data_FigS7AB.csv

The EPR spectra considering with only 130 and 150 degrees pair (second column), weighted average of 130 and 150+-20 degrees pair (third column), and weighted average of 130+-20 and 150 degrees pair (fourth column).

Variable List:

Magnetic field (mT): the magnetic field of each data

Intensity (a.u.): the simulated EPR intensity at each magnetic field with each orientation

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DATA-SPECIFIC INFORMATION FOR: FigS8.xlsx and FigS8_sim.csv

FigS8_sim.csv is simulated spectra of FigS8.xlsx.

Variable List:

Magnetic field (mT): the magnetic field of each data

Intensity (a.u.): the EPR intensity at each magnetic field

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DATA-SPECIFIC INFORMATION FOR: Data_FigS9AB.csv

The EPR spectra considering with 125 and 150, 140, 130, 120, 100, 90, 110 degrees pair and its weighted average.

Variable List:

Magnetic field (mT): the magnetic field of each data

Orientation change (degree) : the change of relative dihedral angle between two pentacenes

Intensity (a.u.): the simulated EPR intensity at each magnetic field with each orientation change

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DATA-SPECIFIC INFORMATION FOR: Data_FigS10A.csv, Data_FigS10B.csv, and Data_FigS10C.csv

The time profile of EPR spectra considering with weighted average of 130 and 150 degrees pair (FigS10A), weighted average of 125 and 110 degrees pair (FigS10B), and their summed spectra (FigS10C)

Variable List:

Magnetic field (mT): the magnetic field of each data

Time (µs): the time that took the data

Intensity (a.u.): the simulated EPR intensity at each magnetic field with each orientation change

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DATA-SPECIFIC INFORMATION FOR: FigS11_A_C.csv

The second column is data of FigS11A and the third column is data of FigS11C, respectively.

Variable List:

Magnetic field (mT): the magnetic field of each data

Intensity (a.u.): the simulated EPR intensity at each magnetic field with each orientation change

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DATA-SPECIFIC INFORMATION FOR: FigS12B.csv

The second column is simulated data of Fig S4C at room temperature considering with only TT diffusion. The third and fourth columns mean the changes derived from 5TT and (T+T) state.

Variable List:

Time (ns): the time that took the data

Delta_abs_530 (a.u.): the time profile of absoption changes at 530 nm at 300 K and 150 K

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DATA-SPECIFIC INFORMATION FOR: FigS13_MOF_Pc_RT_3Ddata_4us.csv

Each columns are correspond with the data of each magnetic fields. Each rows are correspond with the data of each times.

Variable List:

Time (ns): the time that took the data

Magnetic field (mT): the magnetic field of each data

Intensity (a.u.): the EPR intensity at each magnetic field and time

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DATA-SPECIFIC INFORMATION FOR: FigS15_Nutation_profile.csv and FigS15_FT_spect.csv

FigS15_Nutation_profile.csv is data of FigS15A and FigS15_FT_spect.csv is data of FigS15B.
For FigS15_Nutation_profile.csv, the second and fourth columns are the raw data and processed data. The third column are apllied window function for the data processing.

Variable List:

Time (ns): the time that took the data

Frequency (MHz): the nutation frequency of each data

Intensity (a.u.): the EPR and FFT intensity at each magnetic field and time

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DATA-SPECIFIC INFORMATION FOR: FigS16B.csv

Variable List:

Time (ns): the time that took the data

Intensity (a.u.): the EPR intensity at each magnetic field and time

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DATA-SPECIFIC INFORMATION FOR: FigS16C.csv, FigS16C_fit.csv, FigS16D.csv, and FigS16D_fit.csv

FigS16C_fit.csv and FigS16D_fit.csv are mono-exponential fits of each corresponding data.

Variable List:

tau_echo (ns): the pulse duration time of each data

Intensity (a.u.): the EPR intensity at each duration time

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DATA-SPECIFIC INFORMATION FOR: FigS18_THz_MOF_data.csv

The second column and third column are correspond to FigS18A and Fig S18B, respectively.

Variable List:

Wavenumber (cm-1): the wavenumber of each data

Intensity (a.u.): the intensity of each data in teraheltz measurements