Spectroscopy — Self-assembly and optoelectronic properties of isoreticular MOF nanocrystals

9 measurement groups · 38 results

Reported values remain attached to the sample, method, conditions, extraction quality and source location that produced them.

Elemental composition analysis and XPS (XPS-Escalab Xi+-Thermo Scientific)

X-ray photoelectron spectroscopy Bulk elemental and compositional analysis

off-white crystalline IRMOF-8 microstructure powder · Powder

Elemental composition and Zn oxidation state of MOF elements.

Context: pristine framework powder
Measurement source: 109 · 3.1. Synthesis and characterization · Fig. 1(b)

Property	Reported value	Normalised value	Uncertainty	Origin and quality	Source
experimental carbon composition	C (47.63)	47.63 wt%	—	Text Exact Reported	108 · 2.2. General procedure for preparation of IRMOF-8 analogue
experimental oxygen composition	O (24.81)	24.81 wt%	—	Text Exact Reported	108 · 2.2. General procedure for preparation of IRMOF-8 analogue
experimental zinc composition	Zn (27.56)	27.56 wt%	—	Text Exact Reported	108 · 2.2. General procedure for preparation of IRMOF-8 analogue
assigned formula	Zn4O(NDC)3	—	—	Text Qualitative	109 · 3.1. Synthesis and characterization
Zn 2p1/2 binding energy	1045.0 eV	1045 eV	—	Text Exact Reported	109 · 3.1. Synthesis and characterization · Fig. 1(b)
Zn 2p3/2 binding energy	1022.5 eV	1022.5 eV	—	Text Exact Reported	109 · 3.1. Synthesis and characterization · Fig. 1(b)
isolated product yield	100 mg, w/w% yield is 33%	33 wt%	—	Text Exact Reported	108 · 2.2. General procedure for preparation of IRMOF-8 analogue

FTIR (Varian 670-IR spectrometer)

Infrared spectroscopy

off-white crystalline IRMOF-8 microstructure powder · Powder

Functional groups of IRMOF-8 microstructures.

Context: pristine framework powder
Measurement source: 109 · 3.1. Synthesis and characterization · Fig. 1(a)

Property	Reported value	Normalised value	Uncertainty	Origin and quality	Source
aromatic C=C stretching upper bound	1540-1600 cm-1	1600 cm-1	—	Text Range	109 · 3.1. Synthesis and characterization · Fig. 1(a)
aromatic C=C stretching lower bound	1540-1600 cm-1	1540 cm-1	—	Text Range	109 · 3.1. Synthesis and characterization · Fig. 1(a)
metal-coordinated carboxylate carbonyl stretching peak	1685 cm-1 in Results/Fig. 1; 1695 cm-1 in Experimental section	1685 cm-1	—	Text Uncertain	109 · 3.1. Synthesis and characterization · Fig. 1(a)
C-O-Zn stretching upper bound	1400-1355 cm-1	1400 cm-1	—	Text Range	109 · 3.1. Synthesis and characterization · Fig. 1(a)
C-O-Zn stretching lower bound	1400-1355 cm-1	1355 cm-1	—	Text Range	109 · 3.1. Synthesis and characterization · Fig. 1(a)
broad OH stretching peak	3158 cm-1	3158 cm-1	—	Text Exact Reported	109 · 3.1. Synthesis and characterization · Fig. 1(a)

1H NMR (Agilent-400 MR DD 2) in d6-DMSO

Nuclear magnetic resonance

off-white crystalline IRMOF-8 microstructure powder · Powder

Dry microstructure sample dissolved in d6-DMSO.

Context: pristine framework powder
Measurement source: 109 · 3.1. Synthesis and characterization · Fig. S2

Property	Reported value	Normalised value	Uncertainty	Origin and quality	Source
DMF-related 1H NMR peak	delta 2.70	2.7 ppm	—	Text Exact Reported	109 · 3.1. Synthesis and characterization · Fig. S2
DMF-related 1H NMR peak	delta 2.89	2.89 ppm	—	Text Exact Reported	109 · 3.1. Synthesis and characterization · Fig. S2
weak DMF-related 1H NMR peak	delta 7.90 (weak peak)	7.9 ppm	weak peak	Text Exact Reported	109 · 3.1. Synthesis and characterization · Fig. S2
water 1H NMR peak	delta 3.98	3.98 ppm	large water peak	Text Exact Reported	109 · 3.1. Synthesis and characterization · Fig. S2

Photoluminescence emission spectroscopy

Photoluminescence and fluorescence spectroscopy

2,6-NDC ligand solution · Model

Ligand emission spectrum in solution collected upon excitation at 292 nm.

Context: ligand comparison
Measurement source: 111 · Figure 5 caption · Fig. 5(b)

Property	Reported value	Normalised value	Uncertainty	Origin and quality	Source

Photoluminescence emission spectroscopy (Horiba Fluoro-max 4)

Photoluminescence and fluorescence spectroscopy

IRMOF-8 microstructures in ethanol solution · Unknown

Fluorescence emission spectra collected upon excitation at 292 nm.

Context: pristine framework solution
Measurement source: 111 · 3.3. Photophysical properties · Fig. 5(b)

Property	Reported value	Normalised value	Uncertainty	Origin and quality	Source
photoluminescence excitation wavelength	292 nm	292 nm	—	Text Exact Reported	111 · Figure 5 caption · Fig. 5(b)
microstructure PL emission peak	350 nm	350 nm	—	Text Exact Reported	111 · 3.3. Photophysical properties · Fig. 5(b)
microstructure PL emission peak	370 nm	370 nm	—	Text Exact Reported	111 · 3.3. Photophysical properties · Fig. 5(b)
microstructure PL emission peak	420 nm	420 nm	—	Text Exact Reported	111 · 3.3. Photophysical properties · Fig. 5(b)

UV-vis absorption spectroscopy

UV-visible and optical absorption spectroscopy

2,6-NDC ligand solution · Model

2,6-NDC ligand in solution for comparison with microstructures.

Context: ligand comparison
Measurement source: 111 · 3.3. Photophysical properties · Fig. 5(a)

Property	Reported value	Normalised value	Uncertainty	Origin and quality	Source
optical band gap of ligand in solution	3.18 eV	3.18 eV	—	Text Exact Reported	111 · 3.3. Photophysical properties · Fig. 5(a)
ligand solution absorption peak	216 nm	216 nm	—	Text Exact Reported	111 · 3.3. Photophysical properties · Fig. 5(a)
ligand solution absorption peak	284 nm	284 nm	—	Text Exact Reported	111 · 3.3. Photophysical properties · Fig. 5(a)
ligand solution absorption peak	344 nm	344 nm	—	Text Exact Reported	111 · 3.3. Photophysical properties · Fig. 5(a)
ligand solution absorption shoulder	shoulder peak at 246 nm	246 nm	shoulder	Text Exact Reported	111 · 3.3. Photophysical properties · Fig. 5(a)

UV-vis absorption spectroscopy

UV-visible and optical absorption spectroscopy

2,6-NDC ligand thin film · Model

Ligand thin film for absorption and band-gap comparison.

Geometry: thin film
Context: ligand comparison
Measurement source: 111 · 3.3. Photophysical properties · Fig. 5(a)

Property	Reported value	Normalised value	Uncertainty	Origin and quality	Source
optical band gap of ligand thin film	2.91 eV	2.91 eV	—	Text Exact Reported	111 · 3.3. Photophysical properties · Fig. 5(a)
ligand thin-film absorption maximum	218 nm	218 nm	—	Text Exact Reported	111 · 3.3. Photophysical properties · Fig. 5(a)
ligand thin-film absorption maximum	300 nm	300 nm	—	Text Exact Reported	111 · 3.3. Photophysical properties · Fig. 5(a)
ligand thin-film absorption maximum	360 nm	360 nm	—	Text Exact Reported	111 · 3.3. Photophysical properties · Fig. 5(a)

UV-vis absorption spectroscopy (Varian Cary 6000i)

UV-visible and optical absorption spectroscopy

IRMOF-8 microstructures in ethanol solution · Unknown

Microstructures in ethanol solution.

Context: pristine framework solution
Measurement source: 111 · 3.3. Photophysical properties · Fig. 5(a)

Property	Reported value	Normalised value	Uncertainty	Origin and quality	Source
optical band gap of IRMOF-8 microstructures in solution	3.20 eV	3.2 eV	—	Text Exact Reported	111 · 3.3. Photophysical properties · Fig. 5(a)
microstructure solution weak absorption peak	weak absorption peak at 368 nm	368 nm	—	Text Exact Reported	111 · 3.3. Photophysical properties · Fig. 5(a)
microstructure solution excitonic absorption peak	additional peak at 375 nm	375 nm	—	Text Exact Reported	111 · 3.3. Photophysical properties · Fig. 5(a)

UV-vis absorption spectroscopy (Varian Cary 6000i)

UV-visible and optical absorption spectroscopy

spin-coated IRMOF-8 microstructure thin film for UV-vis · Thin Film

Spin-coated microstructure thin film; band gap calculated from absorption onset.

Geometry: thin film on quartz or ITO-coated glass
Context: pristine framework thin film
Measurement source: 111 · 3.3. Photophysical properties · Fig. 5(a)

Property	Reported value	Normalised value	Uncertainty	Origin and quality	Source
optical band gap of IRMOF-8 microstructure thin filmMarked as a best value within this paper	2.82 eV	2.82 eV	—	Text Exact Reported	111 · 3.3. Photophysical properties · Fig. 5(a)
microstructure thin-film vibronic peak	246 nm	246 nm	—	Text Exact Reported	111 · 3.3. Photophysical properties · Fig. 5(a)
microstructure thin-film vibronic peak	300 nm	300 nm	—	Text Exact Reported	111 · 3.3. Photophysical properties · Fig. 5(a)
microstructure thin-film vibronic peak	360 nm	360 nm	—	Text Exact Reported	111 · 3.3. Photophysical properties · Fig. 5(a)
microstructure thin-film absorption shoulder	shoulder peak at 384 nm	384 nm	shoulder	Text Exact Reported	111 · 3.3. Photophysical properties · Fig. 5(a)