cMOF Evidence Base
Diffraction Structure — Probing charge transfer characteristics in a donor-acceptor metal-organic framework by Raman spectroelectrochemistry and pressure-dependence studies

Measurement evidence

Diffraction Structure

Probing charge transfer characteristics in a donor-acceptor metal-organic framework by Raman spectroelectrochemistry and pressure-dependence studies · Usov P.M., Leong C.F., Chan B. et al. · Physical Chemistry Chemical Physics · 2018 · 25772-25779

3 measurement groups · 23 results

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

variable-pressure powder X-ray diffraction with Rietveld analysis

X-ray diffraction and scattering

[(Zn(DMF))2(TTFTC)(DPNI)] powder in DAC for variable-pressure PXRD · Powder

APS 17-BM-B Rapid Acquisition Powder Diffraction beamline; lambda = 0.45212 A; DAC with Fluorinert FC-70; NaCl internal pressure standard.

Geometry
powder in stainless steel gasket, 200 um hole
Context
pristine framework powder
Measurement source
p006-p007 / journal pages 25777-25778 · Variable-pressure powder X-ray diffraction; Results and discussion · Fig. 4d; Table 1
PropertyReported valueNormalised valueUncertaintyOrigin and qualitySource
unit-cell a at 0 GPa after pressure release8.601(4) A—(4)Table
Exact Reported		p007 / journal page 25778 · Table 1 · Table 1
unit-cell a at 1.52 GPa8.193(14) A—(14)Table
Exact Reported		p007 / journal page 25778 · Table 1 · Table 1
unit-cell a at 2.15 GPa8.139(10) A—(10)Table
Exact Reported		p007 / journal page 25778 · Table 1 · Table 1
unit-cell a at 2.40 GPa8.123(6) A—(6)Table
Exact Reported		p007 / journal page 25778 · Table 1 · Table 1
unit-cell a at 3.00 GPa8.118(13) A—(13)Table
Exact Reported		p007 / journal page 25778 · Table 1 · Table 1
unit-cell b at 0 GPa after pressure release20.771(23) A—(23)Table
Exact Reported		p007 / journal page 25778 · Table 1 · Table 1
unit-cell b at 1.52 GPa20.13(15) A—(15)Table
Exact Reported		p007 / journal page 25778 · Table 1 · Table 1
unit-cell b at 2.15 GPa19.82(9) A—(9)Table
Exact Reported		p007 / journal page 25778 · Table 1 · Table 1
unit-cell b at 2.40 GPa19.71(6) A—(6)Table
Exact Reported		p007 / journal page 25778 · Table 1 · Table 1
unit-cell b at 3.00 GPa19.72(13) A—(13)Table
Exact Reported		p007 / journal page 25778 · Table 1 · Table 1
unit-cell beta at 0 GPa after pressure release94.47(8) deg—(8)Table
Exact Reported		p007 / journal page 25778 · Table 1 · Table 1
unit-cell beta at 1.52 GPa91.9(6) deg—(6)Table
Exact Reported		p007 / journal page 25778 · Table 1 · Table 1
unit-cell beta at 2.15 GPa89.1(4) deg—(4)Table
Exact Reported		p007 / journal page 25778 · Table 1 · Table 1
unit-cell beta at 2.40 GPa86.03(22) deg—(22)Table
Exact Reported		p007 / journal page 25778 · Table 1 · Table 1
unit-cell beta at 3.00 GPa86.1(4) deg—(4)Table
Exact Reported		p007 / journal page 25778 · Table 1 · Table 1
unit-cell c at 0 GPa after pressure release13.108(12) A—(12)Table
Exact Reported		p007 / journal page 25778 · Table 1 · Table 1
unit-cell c at 1.52 GPa12.93(5) A—(5)Table
Exact Reported		p007 / journal page 25778 · Table 1 · Table 1
unit-cell c at 2.15 GPa12.93(4) A—(4)Table
Exact Reported		p007 / journal page 25778 · Table 1 · Table 1
unit-cell c at 2.40 GPa12.929(24) A—(24)Table
Exact Reported		p007 / journal page 25778 · Table 1 · Table 1
unit-cell c at 3.00 GPa12.88(5) A—(5)Table
Exact Reported		p007 / journal page 25778 · Table 1 · Table 1
pressure stability after releasestable to pressures up to 4.26 GPa——Text
Exact Reported		p007 / journal page 25778 · Pressure-dependent PXRD discussion · Fig. 4d

PXRD before and after electrolysis

X-ray diffraction and scattering

[(Zn(DMF))2(TTFTC)(DPNI)] powder on DS-150 screen-printed electrode · Electrode

PXRD patterns collected before electrolysis and after electrolysis to assess framework stability after electrochemical treatment.

Geometry
screen-printed electrodes mounted onto PXRD sample holders
Context
electrochemically treated framework
Measurement source
SI p007 · Figure S9 caption · Fig. S9
PropertyReported valueNormalised valueUncertaintyOrigin and qualitySource
PXRD before/after electrolysisPXRD pattern changes after electrolysis, with lower/broader features than before electrolysis——Visual Estimate
Qualitative		SI p007 · Figure S9 caption · Fig. S9

powder X-ray diffraction

X-ray diffraction and scattering

bulk powder [(Zn(DMF))2(TTFTC)(DPNI)] · Powder

PANalytical X'Pert Pro; Cu-Kalpha radiation, lambda = 1.5406 A; powder on Si reflective disc.

Context
pristine framework
Measurement source
SI p001 and p003 · Powder X-ray Diffraction · Fig. S3
PropertyReported valueNormalised valueUncertaintyOrigin and qualitySource
PXRD pattern agrees with predicted framework patternexperimental PXRD pattern compared to predicted pattern——Caption
Qualitative		SI p003 · Figure S3 caption · Fig. S3