Spectroscopy — MOF matrix isolation: Cooperative conformational mobility enables reliable single crystal transformations

6 measurement groups · 16 results

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

MnMOF-1-DEE after attempted Rh metalation · Single Crystal

Post-metalation IR used to assess diagnostic carbonyl stretches.

Context: guest-loaded
Measurement source: p013 / journal page 96 · Post-synthetic metalation of MnMOF-1 with [Rh(CO)2Cl]2

Property	Reported value	Normalised value	Uncertainty	Origin and quality	Source
metalation inferred from IR	non-metalated MOF isolated; no diagnostic Rh(I) CO stretches	—	—	Text Qualitative	p008-p013 / journal pages 91-96 · Post-synthetic metalation of MnMOF-1 with [Rh(CO)2Cl]2
IR peak list	1611, 1555, 1512, 1409, 1304	—	—	Text Exact Reported	p013 / journal page 96 · Post-synthetic metalation of MnMOF-1 with [Rh(CO)2Cl]2

MnMOF-1-THF after attempted Rh metalation · Single Crystal

Post-metalation IR used to assess diagnostic carbonyl stretches.

Context: guest-loaded
Measurement source: p013 / journal page 96 · Post-synthetic metalation of MnMOF-1 with [Rh(CO)2Cl]2

Property	Reported value	Normalised value	Uncertainty	Origin and quality	Source
metalation inferred from IR	non-metalated MOF isolated; no diagnostic Rh(I) CO stretches	—	—	Text Qualitative	p008-p013 / journal pages 91-96 · Post-synthetic metalation of MnMOF-1 with [Rh(CO)2Cl]2
IR peak list	1613, 1552, 1509, 1409, 1305	—	—	Text Exact Reported	p013 / journal page 96 · Post-synthetic metalation of MnMOF-1 with [Rh(CO)2Cl]2

Rh-metalated MnMOF-1 from acetone · Single Crystal

Post-metalation IR used to assess diagnostic carbonyl stretches.

Context: guest-loaded
Measurement source: p013 / journal page 96 · Post-synthetic metalation of MnMOF-1 with [Rh(CO)2Cl]2

Property	Reported value	Normalised value	Uncertainty	Origin and quality	Source
metalation inferred from IR	diagnostic CO stretches support Rh-metalated product	—	—	Text Qualitative	p008-p013 / journal pages 91-96 · Post-synthetic metalation of MnMOF-1 with [Rh(CO)2Cl]2
IR peak list	2103, 2074, 2046, 2036, 1999, 1713, 1611, 1555, 1512, 1409, 1304	—	—	Text Exact Reported	p013 / journal page 96 · Post-synthetic metalation of MnMOF-1 with [Rh(CO)2Cl]2

Rh-metalated MnMOF-1 from DCM · Single Crystal

Post-metalation IR used to assess diagnostic carbonyl stretches.

Context: guest-loaded
Measurement source: p013 / journal page 96 · Post-synthetic metalation of MnMOF-1 with [Rh(CO)2Cl]2

Property	Reported value	Normalised value	Uncertainty	Origin and quality	Source
metalation inferred from IR	diagnostic CO stretches support Rh-metalated product	—	—	Text Qualitative	p008-p013 / journal pages 91-96 · Post-synthetic metalation of MnMOF-1 with [Rh(CO)2Cl]2
IR peak list	2101, 2074, 2044, 2033, 1996, 1613, 1556, 1512, 1416, 1304	—	—	Text Exact Reported	p013 / journal page 96 · Post-synthetic metalation of MnMOF-1 with [Rh(CO)2Cl]2

Rh-metalated MnMOF-1 from p-xylene · Single Crystal

Post-metalation IR used to assess diagnostic carbonyl stretches.

Context: guest-loaded
Measurement source: p013 / journal page 96 · Post-synthetic metalation of MnMOF-1 with [Rh(CO)2Cl]2

Property	Reported value	Normalised value	Uncertainty	Origin and quality	Source
metalation inferred from IR	diagnostic CO stretches support Rh-metalated product	—	—	Text Qualitative	p008-p013 / journal pages 91-96 · Post-synthetic metalation of MnMOF-1 with [Rh(CO)2Cl]2
IR peak list	2105, 2076, 2045, 2033, 2000, 1610, 1556, 1516, 1407, 1303	—	—	Text Exact Reported	p013 / journal page 96 · Post-synthetic metalation of MnMOF-1 with [Rh(CO)2Cl]2

MnMOF-1-ace · Single Crystal

1H NMR of digested MOF samples monitored exchange from DMF to acetone and from acetone to DEE, DCM, THF and p-xylene over 90 min.

Context: pristine/model
Measurement source: p002-p005 / SI pages 2-5 · SI 1.0 Monitoring solvent exchange within MnMOF-1 · Figures S1.1-S1.5

Property	Reported value	Normalised value	Uncertainty	Origin and quality	Source
acetone-to-DCM residual acetone after 90 min	0% acetone	—	—	Visual Estimate Rounded Reported	p003 / SI page 3 · SI 1.0 Monitoring solvent exchange within MnMOF-1 · Figure S1.3
acetone-to-diethyl ether residual acetone after 90 min	0% acetone	—	—	Visual Estimate Rounded Reported	p003 / SI page 3 · SI 1.0 Monitoring solvent exchange within MnMOF-1 · Figure S1.2
acetone-to-p-xylene residual acetone after 90 min	0% acetone	—	—	Visual Estimate Rounded Reported	p005 / SI page 5 · SI 1.0 Monitoring solvent exchange within MnMOF-1 · Figure S1.5
acetone-to-THF residual acetone after 90 min	0% acetone	—	—	Visual Estimate Rounded Reported	p004 / SI page 4 · SI 1.0 Monitoring solvent exchange within MnMOF-1 · Figure S1.4
complete solvate exchange	complete exchange confirmed by 1H NMR spectroscopy on digested MOF samples	—	—	Text Qualitative	p007 / journal page 90 · Solvatomorphs of MnMOF-1
DMF-to-acetone acetone fraction after 90 min	100% acetone	—	—	Visual Estimate Rounded Reported	p002 / SI page 2 · SI 1.0 Monitoring solvent exchange within MnMOF-1 · Figure S1.1