Other — Synthesis, Characterization, and Catalytic Performance of a New Heterobimetallic Y/Tb Metal-Organic Framework with High Catalytic Activity

10 measurement groups · 54 results

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

Cyanosilylation catalysis

Tb-MOF bulk catalyst powder/crystals · Powder

Ketone 1 (0.25 mmol) + TMSCN (34 uL, 0.275 mmol, 1.1 equiv); 0.5 mol% Tb-MOF; solvent-free; RT; N2; typically 4 h or 24 h.

Atmosphere: N2
Geometry: 1 mL vial
Context: pristine monometallic control
Measurement source: p005 / 26553 · Catalytic Activity · Table 1

Property	Reported value	Normalised value	Uncertainty	Origin and quality	Source
cyanosilylation conversion product 2aMarked as a best value within this paper	>99	—	—	Table Range	p005 / 26553 · Catalytic Activity · Table 1
cyanosilylation conversion product 2b	(61) after 4 h; 88 after 24 h	—	—	Table Exact Reported	p005 / 26553 · Catalytic Activity · Table 1
cyanosilylation conversion product 2c	84 after 4 h	—	—	Table Exact Reported	p005 / 26553 · Catalytic Activity · Table 1
cyanosilylation conversion product 2d	91 after 4 h	—	—	Table Exact Reported	p005 / 26553 · Catalytic Activity · Table 1
cyanosilylation conversion product 2e	80 after 4 h	—	—	Table Exact Reported	p005 / 26553 · Catalytic Activity · Table 1
cyanosilylation conversion product 2fMarked as a best value within this paper	(74) after 4 h; >99 after 24 h	—	—	Table Range	p005 / 26553 · Catalytic Activity · Table 1
induction period	24	—	—	Text Rounded Reported	p005 / 26553 · Catalytic Activity · Figure 4
maximum TOF in acetophenone cyanosilylationMarked as a best value within this paper	83 h-1 at 69% conversion after 100 min	—	—	Text Rounded Reported	p006 / 26554 · Catalytic Activity · Figures S30-S31

Cyanosilylation catalysis

Y/Tb-MOF bulk catalyst powder/crystals · Powder

Ketone 1 (0.25 mmol) + TMSCN (34 uL, 0.275 mmol, 1.1 equiv); 0.5 mol% Y/Tb-MOF; solvent-free; RT; N2; 24 h.

Atmosphere: N2
Geometry: 1 mL vial
Context: pristine target framework
Measurement source: p005 / 26553 · Catalytic Activity · Table 1

Property	Reported value	Normalised value	Uncertainty	Origin and quality	Source
cyanosilylation conversion product 2aMarked as a best value within this paper	>99	—	—	Table Range	p005 / 26553 · Catalytic Activity · Table 1
cyanosilylation conversion product 2b	88	—	—	Table Exact Reported	p005 / 26553 · Catalytic Activity · Table 1
cyanosilylation conversion product 2c	86	—	—	Table Exact Reported	p005 / 26553 · Catalytic Activity · Table 1
cyanosilylation conversion product 2d	94	—	—	Table Exact Reported	p005 / 26553 · Catalytic Activity · Table 1
cyanosilylation conversion product 2eMarked as a best value within this paper	>99	—	—	Table Range	p005 / 26553 · Catalytic Activity · Table 1
cyanosilylation conversion product 2fMarked as a best value within this paper	>99	—	—	Table Range	p005 / 26553 · Catalytic Activity · Table 1
induction period	152	—	—	Text Rounded Reported	p005 / 26553 · Catalytic Activity · Figure 4
green metric atom economy for 2a	100	—	—	SI Table Exact Reported	p049 / S49 · Green chemistry metrics · Table S9
green metric mass intensity for 2a	1.1	—	—	SI Table Exact Reported	p049 / S49 · Green chemistry metrics · Table S9
maximum TOF in acetophenone cyanosilylationMarked as a best value within this paper	17 h-1 at 61% conversion after 7 h	—	—	Text Rounded Reported	p006 / 26554 · Catalytic Activity · Figures S30-S31

CO2/epoxide cycloaddition catalysis

Tb-MOF bulk catalyst powder/crystals · Powder

Epoxide 4 (0.5 mmol), TBAB 2.5 mol%, Tb-MOF 2.0 mol%; solvent-free unless stated; 5 bar CO2; 100 C; 19 h for scope.

Temperature: 373
Atmosphere: CO2
Geometry: reactor vial
Context: pristine monometallic control
Measurement source: p006-p007 / 26554-26555 · Catalytic Activity · Tables 3-4

Property	Reported value	Normalised value	Uncertainty	Origin and quality	Source
CO2 cycloaddition conversion product 5bMarked as a best value within this paper	87	—	—	Table Exact Reported	p007 / 26555 · Catalytic Activity · Table 4
CO2 cycloaddition conversion product 5c	46	—	—	Table Exact Reported	p007 / 26555 · Catalytic Activity · Table 4
CO2 cycloaddition conversion product 5d	0	—	—	Table Exact Reported	p007 / 26555 · Catalytic Activity · Table 4

CO2/epoxide cycloaddition catalysis

Y/Tb-MOF bulk catalyst powder/crystals · Powder

Epoxide 4 (0.5 mmol), TBAB 2.5 mol%, Y/Tb-MOF 2.0 mol%; solvent-free unless stated; 5 bar CO2; 100 C; 19 h for scope.

Temperature: 373
Atmosphere: CO2
Geometry: reactor vial
Context: pristine target framework
Measurement source: p006-p007 / 26554-26555 · Catalytic Activity · Tables 3-4

Property	Reported value	Normalised value	Uncertainty	Origin and quality	Source
CO2 cycloaddition conversion product 5b	65	—	—	Table Exact Reported	p007 / 26555 · Catalytic Activity · Table 4
CO2 cycloaddition conversion product 5c	41	—	—	Table Exact Reported	p007 / 26555 · Catalytic Activity · Table 4
CO2 cycloaddition conversion product 5d	0	—	—	Table Exact Reported	p007 / 26555 · Catalytic Activity · Table 4

Hydroboration catalysis

Tb-MOF bulk catalyst powder/crystals · Powder

Ketone 1 (0.25 mmol) + HBpin (40 uL, 0.275 mmol, 1.1 equiv); 0.5 mol% Tb-MOF; solvent-free; RT; N2; 24 h, then NaOH/Et2O hydrolysis overnight.

Atmosphere: N2
Geometry: 1 mL vial
Context: pristine monometallic control
Measurement source: p006 / 26554 · Catalytic Activity · Table 2

Property	Reported value	Normalised value	Uncertainty	Origin and quality	Source
hydroboration conversion product 3a	70	—	—	Table Exact Reported	p006 / 26554 · Catalytic Activity · Table 2
hydroboration conversion product 3b	75	—	—	Table Exact Reported	p006 / 26554 · Catalytic Activity · Table 2
hydroboration conversion product 3c	75	—	—	Table Exact Reported	p006 / 26554 · Catalytic Activity · Table 2
hydroboration conversion product 3d	89	—	—	Table Exact Reported	p006 / 26554 · Catalytic Activity · Table 2
hydroboration conversion product 3e	81	—	—	Table Exact Reported	p006 / 26554 · Catalytic Activity · Table 2
hydroboration conversion product 3f/3f'Marked as a best value within this paper	93	—	—	Table Exact Reported	p006 / 26554 · Catalytic Activity · Table 2
hydroboration TOF upper end of reported range	4.2 to 7.4	—	—	Text Range	p006 / 26554 · Catalytic Activity · Figures S34-S35

Hydroboration catalysis

Y/Tb-MOF bulk catalyst powder/crystals · Powder

Ketone 1 (0.25 mmol) + HBpin (40 uL, 0.275 mmol, 1.1 equiv); 0.5 mol% Y/Tb-MOF; solvent-free; RT; N2; 24 h, then NaOH/Et2O hydrolysis overnight.

Atmosphere: N2
Geometry: 1 mL vial
Context: pristine target framework
Measurement source: p006 / 26554 · Catalytic Activity · Table 2

Property	Reported value	Normalised value	Uncertainty	Origin and quality	Source
hydroboration conversion product 3a	91	—	—	Table Exact Reported	p006 / 26554 · Catalytic Activity · Table 2
hydroboration conversion product 3b	90	—	—	Table Exact Reported	p006 / 26554 · Catalytic Activity · Table 2
hydroboration conversion product 3c	85	—	—	Table Exact Reported	p006 / 26554 · Catalytic Activity · Table 2
hydroboration conversion product 3d	60	—	—	Table Exact Reported	p006 / 26554 · Catalytic Activity · Table 2
hydroboration conversion product 3e	86	—	—	Table Exact Reported	p006 / 26554 · Catalytic Activity · Table 2
hydroboration conversion product 3f/3f'Marked as a best value within this paper	97	—	—	Table Exact Reported	p006 / 26554 · Catalytic Activity · Table 2
hydroboration TOF upper end of reported range	1.4 to 7.6	—	—	Text Range	p006 / 26554 · Catalytic Activity · Figures S34-S35

Leaching test and ICP-MS

Bulk elemental and compositional analysis

recovered Y/Tb-MOF catalyst · Powder

Supernatant after first recyclability cycle filtered through celite, dried, then used for additional cyanosilylation or hydroboration; ICP-MS analysed leached Y/Tb.

Atmosphere: N2
Geometry: filtrate test
Context: recycled target framework
Measurement source: p008 / 26556 · Recyclability and Leaching Studies · Scheme 1

Property	Reported value	Normalised value	Uncertainty	Origin and quality	Source
filtrate cyanosilylation conversion	85	—	—	Text Rounded Reported	p008 / 26556 · Recyclability and Leaching Studies · Scheme 1
filtrate hydroboration conversion	96	—	—	Text Rounded Reported	p008 / 26556 · Recyclability and Leaching Studies · Scheme 1
leached Y/Tb ratio cyanosilylation cycle 1	1.05 (2.21/2.10 ug/L)	—	—	Text Exact Reported	p008 / 26556 · Recyclability and Leaching Studies

Catalyst recyclability

recovered Tb-MOF catalyst · Powder

Recovered Tb-MOF catalyst by centrifugation, Et2O washing, vacuum drying and reuse in cyanosilylation.

Atmosphere: N2
Geometry: reused catalyst
Context: recycled monometallic control
Measurement source: p007 / 26555 · Recyclability and Leaching Studies · Figure 5; Figure S27

Property	Reported value	Normalised value	Uncertainty	Origin and quality	Source
Tb-MOF cyanosilylation conversion after first recycle	52	—	—	Text Rounded Reported	p007 / 26555 · Recyclability and Leaching Studies · Figure 5; Figure S27

Catalyst recyclability

recovered Y/Tb-MOF catalyst · Powder

Recovered catalyst by centrifugation, Et2O washing, vacuum drying and reuse in cyanosilylation, hydroboration, and CO2 cycloaddition.

Atmosphere: N2 or CO2 depending reaction
Geometry: reused catalyst
Context: recycled target framework
Measurement source: p007 / 26555 · Recyclability and Leaching Studies · Figure 5; Figure S27

Property	Reported value	Normalised value	Uncertainty	Origin and quality	Source
cyanosilylation conversion after first recycle	24	—	—	Text Rounded Reported	p007 / 26555 · Recyclability and Leaching Studies · Figure 5; Figure S27
CO2 cycloaddition recyclability	no erosion throughout four tested cycles	—	—	Text Qualitative	p007 / 26555 · Recyclability and Leaching Studies · Figure 5
hydroboration conversion after first recycle	50	—	—	Text Rounded Reported	p007 / 26555 · Recyclability and Leaching Studies · Figure 5
hydroboration conversion after second recycle	34	—	—	Text Rounded Reported	p007 / 26555 · Recyclability and Leaching Studies · Figure 5

Thermogravimetric analysis (TGA/DTG)

Thermogravimetric analysis

Y/Tb-MOF bulk catalyst powder/crystals · Powder

Inert N2 atmosphere; ambient to ca. 1000 C.

Atmosphere: N2
Context: pristine target framework
Measurement source: p003 / 26551 · Synthesis and Characterization of Catalysts · Figure S12

Property	Reported value	Normalised value	Uncertainty	Origin and quality	Source
framework-collapse range upper bound	438	—	—	Text Rounded Reported	p003 / 26551 · Synthesis and Characterization · Figure S12
framework-collapse range lower bound	252	—	—	Text Rounded Reported	p003 / 26551 · Synthesis and Characterization · Figure S12
final organic-linker decomposition event	521	—	—	Text Rounded Reported	p003 / 26551 · Synthesis and Characterization · Figure S12
final organic-linker decomposition event	712	—	—	Text Rounded Reported	p003 / 26551 · Synthesis and Characterization · Figure S12
final organic-linker decomposition event	941	—	—	Text Rounded Reported	p003 / 26551 · Synthesis and Characterization · Figure S12
solvent-loss DTG peak	72	—	—	Text Rounded Reported	p003 / 26551 · Synthesis and Characterization · Figure S12
solvent-loss range upper bound	177	—	—	Text Rounded Reported	p003 / 26551 · Synthesis and Characterization · Figure S12
solvent-loss range lower bound	room temperature	—	—	Text Approximate	p003 / 26551 · Synthesis and Characterization · Figure S12