cMOF Evidence Base
Spectroscopy — Mixed Anionic and Cationic Redox Chemistry in a Tetrathiomolybdate Amorphous Coordination Framework

Measurement evidence

Spectroscopy

Mixed Anionic and Cationic Redox Chemistry in a Tetrathiomolybdate Amorphous Coordination Framework · Zhu Q., Wang J., Liu X. et al. · Angewandte Chemie - International Edition · 2020 · 16579-16586

3 measurement groups · 11 results

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

FTIR spectroscopy

Infrared spectroscopy

dehydrated <Na2MoS4> powder · Powder

ATR FTIR on pristine powders comparing Na2MoS4.3.5H2O and dehydrated <Na2MoS4>.

Geometry
powder
Context
pristine hydrated and dehydrated powders
Measurement source
3 (16581) · Results and Discussion · Figure 1C
PropertyReported valueNormalised valueUncertaintyOrigin and qualitySource
FTIR water band removed1580 cm-1 water band disappears after dehydration——Text
Rounded Reported		2 (16580) · Results and Discussion · Figure 1C
FTIR water band removed3450 cm-1 water band disappears after dehydration——Text
Rounded Reported		2 (16580) · Results and Discussion · Figure 1C

ex situ electrochemical XPS

X-ray photoelectron spectroscopy

<Na2MoS4>/Super P Li half-cell electrodes · Electrode

Mo 3d and S 2p XPS of different states of charge in Li half-cell; cycled powders rinsed with DMC, dried in vacuum, handled under Ar.

Atmosphere
Ar glovebox and protective Ar transfer
Geometry
powder retrieved from cycled electrode
Context
composite electrode used to probe pristine framework redox states
Measurement source
4 (16582) · Results and Discussion · Figure 3; Table 1
PropertyReported valueNormalised valueUncertaintyOrigin and qualitySource
state a Mo average valencea: x in Mo^x+ = 2.6——Table
Rounded Reported		4 (16582) · Table 1 · Table 1
state a S average valencea: y in S^y- = 1.9 (S valence -1.9)——Table
Rounded Reported		4 (16582) · Table 1 · Table 1
state b Mo average valenceb: x in Mo^x+ = 3.9——Table
Rounded Reported		4 (16582) · Table 1 · Table 1
state c S average valencec: y in S^y- = 1.2 (S valence -1.2)——Table
Rounded Reported		4 (16582) · Table 1 · Table 1
state d Mo average valenced: x in Mo^x+ = 2.6——Table
Rounded Reported		4 (16582) · Table 1 · Table 1

XPS Mo 3d and S 2p

X-ray photoelectron spectroscopy

dehydrated <Na2MoS4> powder · Powder

Al Kalpha XPS comparing hydrated Na2MoS4.3.5H2O and dehydrated <Na2MoS4>; binding energies calibrated to C 1s at 284.8 eV.

Atmosphere
protective Ar transfer for ex situ samples where applicable
Geometry
powder on XPS sample holder
Context
pristine hydrated and dehydrated powders
Measurement source
5 (16583) · Results and Discussion · Table 1; Figure S9
PropertyReported valueNormalised valueUncertaintyOrigin and qualitySource
hydrated Na2MoS4.3.5H2O Mo average valencex in Mo^x+ = 5.1——Table
Rounded Reported		4 (16582) · Table 1 · Table 1
hydrated Na2MoS4.3.5H2O S average valencey in S^y- = 1.8 (S valence -1.8)——Table
Rounded Reported		4 (16582) · Table 1 · Table 1
dehydrated pristine p-state Mo average valencep: x in Mo^x+ = 4.7——Table
Rounded Reported		4 (16582) · Table 1 · Table 1
dehydrated pristine p-state S average valencep: y in S^y- = 1.7 (S valence -1.7)——Table
Rounded Reported		4 (16582) · Table 1 · Table 1