Spectroscopy — Nanopore-induced host-guest charge transfer phenomena in a metal-organic framework

4 measurement groups · 8 results

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

TTF plus AQDC reaction residue · Powder

Reaction residues from AQDC plus donor molecules compared with guest-impregnated Mn-MOF samples.

Property	Reported value	Normalised value	Uncertainty	Origin and quality	Source
TMPDA plus AQDC control protonation band range	400-600 nm	—	—	Caption Range	p.7 · Figure caption · Fig. 5
TTF plus AQDC control lacks CT band near 750 nm	absorption bands around 750 nm were absent	—	—	Text Qualitative	p.7 · The confinement effect of the micropores · Fig. 5

Compound 2 Mn-MOF 7TMPDA crystals · Single Crystal

Mn-MOF and guest crystals measured over low-temperature ranges to compare line-width broadening.

Temperature: 5-80
Context: comparison of pristine Mn-MOF and compounds 1 and 2
Measurement source: p.6 · Experimental evidence of charge transfer · Fig. 4 and Fig. S11

Property	Reported value	Normalised value	Uncertainty	Origin and quality	Source
Mn-MOF EPR g value	g=2.03	—	—	Text Exact Reported	p.6 · Experimental evidence of charge transfer · Fig. S11
Compound 2 EPR line-width behaviour	only slightly broadened below Tc; miniscule compared with Mn-MOF and 1	—	—	Text Qualitative	p.7 · Experimental evidence of charge transfer · Fig. 4

Compound 1 Mn-MOF 5TTF crystals · Single Crystal

Excitation laser wavelength 1064 nm; Mn-MOF, TTF and compound 1 compared.

Property	Reported value	Normalised value	Uncertainty	Origin and quality	Source
Compound 1 C=C Raman stretch	1512 cm-1	—	—	Caption Exact Reported	SI p.13 · S10. Raman spectrum · Fig. S12
TTF C=C Raman stretch	1514 cm-1	—	—	Caption Exact Reported	SI p.13 · S10. Raman spectrum · Fig. S12

Compound 1 Mn-MOF 5TTF crystals · Single Crystal

Mn-MOF, donor molecules and guest-loaded crystals measured from 200-1400 nm; guest crystals mixed with BaSO4 1:10 by weight.

Geometry: BaSO4-diluted crystal powder
Context: comparison of pristine Mn-MOF, free donors, compound 1 and compound 2
Measurement source: p.4 · Physical measurements · Fig. 3

Property	Reported value	Normalised value	Uncertainty	Origin and quality	Source
Compound 1 charge-transfer band	740 nm	—	—	Text Rounded Reported	p.6 · Experimental evidence of charge transfer · Fig. 3
Compound 2 charge-transfer band	790 nm	—	—	Text Rounded Reported	p.6 · Experimental evidence of charge transfer · Fig. 3