Diffraction Structure — Boosting the Optoelectronic Performance by Regulating Exciton Behaviors in a Porous Semiconductive Metal-Organic Framework

3 measurement groups · 7 results

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

Powder X-ray diffraction (PXRD)

X-ray diffraction and scattering

RhB+@TbTATAB guest-loaded crystals · Powder

PXRD 3-50 deg with Cu Kalpha radiation, Bruker D8 Advance; used to compare experimental TbTATAB, RhB+@TbTATAB, simulated TbTATAB and computational RhB+@TbTATAB.

Context: Target guest-loaded sample compared with parent framework.
Measurement source: p004 / SI S2 and p006 / SI S4 · Physical characterizations; Figure S1 · Figure S1

Property	Reported value	Normalised value	Uncertainty	Origin and quality	Source
Crystallinity retained after RhB adsorption	PXRD patterns verify TbTATAB can maintain crystallinity after adsorption.	—	—	Qualitative Qualitative	p003 / SI S1 and p006 / SI S4 · Synthesis of RhB+@TbTATAB; Figure S1 · Figure S1

Single-crystal X-ray diffraction

X-ray diffraction and scattering

as-synthesised TbTATAB powder/crystals · Powder

Structure assignment of TbTATAB framework.

Context: Pristine parent framework.
Measurement source: p002 / article p2190 · Synthesis and Characterization · Figure S2

Property	Reported value	Normalised value	Uncertainty	Origin and quality	Source
1D channel size	23 x 27 A2 along c axis	—	—	Text Rounded Reported	p002 / article p2190 · Synthesis and Characterization · Figure S2
1D channel size second dimension	23 x 27 A2 along c axis	—	—	Text Rounded Reported	p002 / article p2190 · Synthesis and Characterization · Figure S2
Space group	monoclinic P21/c	—	—	Text Exact Reported	p002 / article p2190 · Synthesis and Characterization

Thermogravimetric analysis (TGA)

Thermogravimetric analysis

as-synthesised TbTATAB powder/crystals · Powder

NETZSCH STA 449 F3 from 30 to 900 degC under nitrogen flow, 10 degC/min.

Atmosphere: nitrogen flow
Context: Pristine parent framework.
Measurement source: p004 / SI S2 and p007 / SI S5 · Physical characterizations; Figure S4 · Figure S4

Property	Reported value	Normalised value	Uncertainty	Origin and quality	Source
Assigned formula from TGA	Tb2L2.4H2O.6DMF	—	—	Caption Exact Reported	p007 / SI S5 · Supplementary figures · Figure S4
TGA weight loss assigned to six free DMF molecules	24.03% experimental weight loss from 100-270 degC	—	calculated result 24.42%	Caption Exact Reported	p008 / SI S6 · Supplementary figures · Figure S4
TGA weight loss assigned to four free water molecules	4.62% experimental weight loss from 30-100 degC	—	calculated result 4.01%	Caption Exact Reported	p008 / SI S6 · Supplementary figures · Figure S4