Spectroscopy — Emergence of electrical conductivity in a flexible coordination polymer by using chemical reduction

Measurement evidence

Spectroscopy

Emergence of electrical conductivity in a flexible coordination polymer by using chemical reduction · Fuku K., Miyata M., Takaishi S. et al. · Chemical Communications · 2020 · 8619-8622

6 measurement groups · 8 results

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

ESR spectroscopy, JEOL JES-FA100

purple crystals of 1 · Single Crystal

Compound 2 handled in sealed glass capillary under nitrogen; ESR compared 1 and 2.

Atmosphere
inert/oxygen-free condition for ESR
Context
guest-loaded pristine control
Measurement source
8621 · Main text · Fig. 3c
PropertyReported valueNormalised valueUncertaintyOrigin and qualitySource
ESR g value for 1g = 2.0594Text
Exact Reported
8621 · Main text · Fig. 3c

ESR spectroscopy, JEOL JES-FA100

black solid 2 from 1 · Powder

Compound 2 in sealed glass capillary prepared in nitrogen-filled glove box.

Atmosphere
inert/oxygen-free condition for ESR
Context
reduced conductive target sample
Measurement source
3 · General information · Fig. 3c
PropertyReported valueNormalised valueUncertaintyOrigin and qualitySource
ESR g value for 2g = 2.0031Text
Exact Reported
8621 · Main text · Fig. 3c

IR absorption spectroscopy with KBr pellets / sealed pellet holder for 2

black solid 2 from 1 · Powder

IR spectra collected on JASCO FT/IR-4200; compound 2 measured in fully inert condition.

Atmosphere
inert/oxygen-free condition for 2
Geometry
KBr pellet or sealed pellet holder
Context
reduced conductive target sample
Measurement source
8621 · Main text · Fig. 4a-c
PropertyReported valueNormalised valueUncertaintyOrigin and qualitySource
C-Cl stretching feature removed after reduction756 cm-1 disappeared after the reductionText
Exact Reported
8621 · Main text · Fig. 4a
broad charge-transfer band range3000 to 6000 cm-1Text
Range
8621 · Main text · Fig. 4c
N-O stretching feature removed after reduction1388 cm-1 disappeared after the reductionText
Exact Reported
8621 · Main text · Fig. 4b

Solid-state UV-Vis-NIR diffuse reflectance spectroscopy in BaSO4

purple crystals of 1 · Single Crystal

Shimadzu UV-3100; ambient air within approx. 10 minutes according to SI.

Atmosphere
ambient air, short exposure
Context
guest-loaded pristine control
Measurement source
2 · General information · Fig. 3b
PropertyReported valueNormalised valueUncertaintyOrigin and qualitySource
Cu(II) d-d absorption band in 1around 550 nmText
Approximate
8621 · Main text · Fig. 3b

Solid-state UV-Vis-NIR diffuse reflectance spectroscopy in BaSO4

black solid 2 from 1 · Powder

Shimadzu UV-3100; ambient air within approx. 10 minutes according to SI.

Atmosphere
ambient air, short exposure
Context
reduced conductive target sample
Measurement source
8621 · Main text · Fig. 3b
PropertyReported valueNormalised valueUncertaintyOrigin and qualitySource
new NDI radical-anion absorption band in 2around 690 nmText
Approximate
8621 · Main text · Fig. 3b

Cu K-edge XANES at Photon Factory BL-12C

black solid 2 from 1 · Powder

4-23 keV beamline; samples packed into aluminium zipper bag in N2; Cu foil calibration; compared with Cu foil, Cu2O, and CuO references.

Temperature
room temperature
Atmosphere
nitrogen/inert sample packing
Geometry
7 mm diameter pellets containing only sample for non-foil samples
Context
reduced conductive target sample
Measurement source
2 · General information · Fig. 3d
PropertyReported valueNormalised valueUncertaintyOrigin and qualitySource
Cu oxidation state in 2+1Text
Exact Reported
8621 · Main text · Fig. 3d