Spectroscopy — Electrical semiconduction modulated by light in a cobalt and naphthalene diimide metal-organic framework

5 measurement groups · 5 results

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

X-band EPR spectroscopy; EMX Bruker spectrometer

Electron paramagnetic resonance

MOF-CoNDI-py-2 purple leaf-like crystals/powder · Single Crystal

Powder sample, 7 K and 25 K, P = 6.533 mW.

Temperature: 7 and 25
Atmosphere: not specified
Geometry: powder
Context: pristine MOF
Measurement source: 1 · Supplementary Fig. 1 caption · Supplementary Fig. 1

Property	Reported value	Normalised value	Uncertainty	Origin and quality	Source
Zero-field splitting D	> 1.5 cm^-1	—	greater than	Caption Range	1 · Supplementary Fig. 1 caption · Supplementary Fig. 1
Effective g value	approximately 4	—	approximate	Caption Approximate	1 · Supplementary Fig. 1 caption · Supplementary Fig. 1

FTIR using KBr pellets; Shimadzu IRPrestige-21

Infrared spectroscopy

MOF-CoNDI-py-2 purple leaf-like crystals/powder · Single Crystal

Samples treated in oven at 100 deg C for 3 h before analysis according to SI Fig. 16.

Temperature: 373 pretreatment
Atmosphere: not specified
Geometry: KBr pellet
Context: pristine MOF
Measurement source: 16,24 · Supplementary Fig. 16; Supplementary Note 1 · Supplementary Fig. 16

Property	Reported value	Normalised value	Uncertainty	Origin and quality	Source

UV-Vis electronic absorption spectroscopy of NDI-py in DMF at several concentrations

UV-visible and optical absorption spectroscopy

NDI-py ligand · Powder

Molar absorption coefficients calculated at 380, 360, 341 and 324 nm in the 0.2-0.8 absorptivity window.

Atmosphere: not specified
Geometry: solution in DMF
Context: model ligand
Measurement source: 15 · Supplementary Fig. 15 caption · Supplementary Fig. 15

Property	Reported value	Normalised value	Uncertainty	Origin and quality	Source
NDI-py molar absorption coefficient at 380 nm	epsilon = 2.1 x 10^4 L mol^-1 cm^-1	—	—	Caption Rounded Reported	15 · Supplementary Fig. 15 caption · Supplementary Fig. 15

Polarised confocal Raman spectroscopy; Witec Alpha 300 R; 532 nm Nd:YAG laser

Raman spectroscopy

MOF-CoNDI-py-2 purple leaf-like crystals/powder · Single Crystal

Incident polariser fixed at 0 deg, detector varied at -90, -45, 0, 45, 60 and 90 deg; crystals deposited on glass from DMF suspension and hot-plate dried.

Atmosphere: not specified
Geometry: single crystal on glass slide
Context: pristine MOF
Measurement source: 25 · Supplementary Note 2 · Supplementary Fig. 19

Property	Reported value	Normalised value	Uncertainty	Origin and quality	Source

Diffuse reflectance electronic absorption spectroscopy; Analytical Spectral Devices FieldSpec 3 and Ocean Optics DH-2000-Ball

UV-visible and optical absorption spectroscopy

MOF-CoNDI-py-2 purple leaf-like crystals/powder · Single Crystal

Vis-NIR 350-2500 nm and UV-Vis 250-800 nm, MgO reference.

Atmosphere: ambient/not specified
Geometry: crystals
Context: pristine MOF
Measurement source: 3,6 · Results; Methods - Electronic absorption spectra · Fig. 4

Property	Reported value	Normalised value	Uncertainty	Origin and quality	Source
MOF optical absorption range	300 to 2350 nm except around 800 and 2075 nm	—	range	Text Range	3 · Results · Fig. 4
MLCT band centre	centred at 485 nm	—	centred	Text Rounded Reported	3 · Results · Fig. 4